The list below reflects 2016 and 2015 publications that resulted from the use, at least in part, of OLCF resources.
Please report errors or missing publications to Ashley Barker,

TitleDOIAuthorsSourceProgram AllocationProject IDProject PIYear
"Prophetic vision, vivid imagination": The 1927 Mississippi River flood10.1002/2015WR017927Smith, James A.; Baeck, Mary LynnWATER RESOURCES RESEARCHINCITECLI028Compo, Gilbert2015
A Bayesian approach for parameter estimation and prediction using a computationally intensive model10.1088/0954-3899/42/3/034009Higdon, Dave; McDonnell, Jordan D.; Schunck, Nicolas; Sarich, Jason; Wild, Stefan M.JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICSINCITENPH008Vary, James2015
A DNS study of the ignition of lean PRF/air mixtures with temperature inhomogeneities under high pressure and intermediate temperature10.1016/j.combustflame.2014.09.001Kim, Seung Ook; Luong, Minh Bau; Chen, Jacqueline H.; Yoo, Chun SangCOMBUSTION AND FLAMEINCITECMB103Chen, Jacqueline2015
A Holocene East Asian winter monsoon record at the southern edge of the Gobi Desert and its comparison with a transient simulation10.1007/s00382-014-2372-5Li, Yu; Morrill, CarrieCLIMATE DYNAMICSINCITECLI017Washington, Warren2015
A Hybrid Global Ocean Data Assimilation System at NCEP10.1175/MWR-D-14-00376.1Penny, Stephen G.; Behringer, David W.; Carton, James A.; Kalnay, EugeniaMONTHLY WEATHER REVIEWINCITECLI028Compo, Gilbert2015
A Kinetic Vlasov Model for Plasma Simulation Using Discontinuous Galerkin Method on Many-Core ArchitecturesRedder, NoahUniversity of Washington, Ph.D. ThesisDDCSC133HIll, Judith2016
A More Realistic Way of Stressing the End-to-end I/O SystemVergara Larrea, Veronica G. (ORNL); Oral, H Sarp (ORNL); Leverman, Dustin B. (ORNL); Nam, Hai Ah (ORNL); Wang, Feiyi (ORNL); Simmons, James A. (ORNL)PROCEEDINGS OF THE CRAY USER GROUPSTAFFSTAFFSTAFF2015
A Multiwavenumber Theory for Eddy Diffusivities and Its Application to the Southeast Pacific (DIMES) Region10.1175/JPO-D-14-0229.1Chen, Ru; Gille, Sarah T.; McClean, Julie L.; Flierl, Glenn R.; Griesel, AlexaJOURNAL OF PHYSICAL OCEANOGRAPHYINCITECLI115Taylor, Mark2015
A Novel and Functional Single-Layer Sheet of ZnSe10.1021/am505655mZhou, Jia; Sumpter, Bobby G.; Kent, Paul R. C.; Huang, JingsongACS APPLIED MATERIALS & INTERFACESINCITEMAT044Kent, Paul2015
A Parallel Solver for Markov Decision Process in Crowd Simulations10.1109/MICAI.2015.23Ruiz, Sergio; Hernandez, Benjamin2015 FOURTEENTH MEXICAN INTERNATIONAL CONFERENCE ON ARTIFICIAL INTELLIGENCE (MICAI)2015
A Scalable Algorithm for Radiative Heat Transfer Using Reverse Monte Carlo Ray Tracing10.1007/978-3-319-20119-1_16Humphrey, Alan; Harman, Todd; Berzins, Martin; Smith, PhillipHIGH PERFORMANCE COMPUTING, ISC HIGH PERFORMANCE 2015ALCCCMB109Berzins, Martin2015
A case study of CUDA FORTRAN and OpenACC for an atmospheric climate kernel10.1016/j.jocs.2015.04.022Norman, Matthew; Larkin, Jeffrey; Vose, Aaron; Evans, KatherineJOURNAL OF COMPUTATIONAL SCIENCESTAFFSTAFFSTAFF2015
A collection of sub-daily pressure and temperature observations for the early instrumental period with a focus on the "year without a summer" 181610.5194/cp-11-1027-2015Brugnara, Y.; Auchmann, R.; Broennimann, S.; Allan, R. J.; Auer, I.; Barriendos, M.; Bergstrom, H.; Bhend, J.; Brazdil, R.; Compo, G. P.; Cornes, R. C.; Dominguez-Castro, F.; van Engelen, A. F. V.; Filipiak, J.; Holopainen, J.; Jourdain, S.; Kunz, M.; Luterbacher, J.; Maugeri, M.; Mercalli, L.; Moberg, A.; Mock, C. J.; Pichard, G.; Reznckova, L.; van der Schrier, G.; Slonosky, V.; Ustrnul, Z.; Valente, M. A.; Wypych, A.; Yin, X.CLIMATE OF THE PASTINCITECLI028Compo, Gilbert2015
A comparative study of coarse-graining methods for polymeric fluids: Mori-Zwanzig vs. iterative Boltzmann inversion vs. stochastic parametric optimization10.1063/1.4959121Li, Zhen; Bian, Xin; Yang, Xiu; Karniadakis, George EmJOURNAL OF CHEMICAL PHYSICSINCITEBIP118George Karniadakis2016
A conductive heat transfer model for particle flows over immersed surfaces10.1016/j.ijheatmasstransfer.2015.06.004Morris, A. B.; Pannala, S.; Ma, Z.; Hrenya, C. M.INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFERALCCPHY104Hrenya, Christine2015
A deterministic alternative to the full configuration interaction quantum Monte Carlo method10.1063/1.4955109Tubman, Norm M.; Lee, Joonho; Takeshita, Tyler Y.; Head-Gordon, Martin; Whaley, K. BirgittaJOURNAL OF CHEMICAL PHYSICS2016
A diagnostic analysis on the effect of the residual layer in convective boundary layer development near Mongolia using 20th century reanalysis data10.1007/s00376-014-4164-6Han Bo, undefined; Zhao Cailing, undefined; Lu Shihua, undefined; Wang Xin, undefinedADVANCES IN ATMOSPHERIC SCIENCESINCITECLI028Compo, Gilbert2015
A framework for stochastic simulations and visualization of biological electron-transfer dynamics10.1016/j.cpc.2015.03.009Nakano, C. Masato; Byun, Hye Suk; Ma, Heng; Wei, Tao; El-Naggar, Mohamed Y.COMPUTER PHYSICS COMMUNICATIONSDDMAT104Wei, Tao2015
A fully non-linear multi-species Fokker-Planck-Landau collision operator for simulation of fusion plasma10.1016/, Robert; Yoon, E. S.; Ku, S.; D'Azevedo, E. F.; Worley, P. H.; Chang, C. S.JOURNAL OF COMPUTATIONAL PHYSICSINCITEENV003Chang, C.S.2016
A laboratory study of asymmetric magnetic reconnection in strongly driven plasmas10.1038/ncomms7190Rosenberg, M. J.; Li, C. K.; Fox, W.; Igumenshchev, I.; Seguin, F. H.; Town, R. P. J.; Frenje, J. A.; Stoeckl, C.; Glebov, V.; Petrasso, R. D.NATURE COMMUNICATIONSDDPHY101Bhattacharjee, Amitava2015
A multi-century tree-ring record of spring flooding on the Mississippi River10.1016/j.jhydrol.2014.11.005Therrell, Matthew D.; Bialecki, Margaret B.JOURNAL OF HYDROLOGYINCITECLI028Compo, Gilbert2015
A multi-model and multi-index evaluation of drought characteristics in the 21st century10.1016/j.jhydrol.2014.12.011Touma, Danielle; Ashfaq, Moetasim; Nayak, Munir A.; Kao, Shih-Chieh; Diffenbaugh, Noah S.JOURNAL OF HYDROLOGYDDCLI105Ashfaq, Moetasim2015
A multiscale modeling framework model (superparameterized CAM5) with a higher-order turbulence closure: Model description and low-cloud simulations10.1002/2014MS000375Wang, Minghuai; Larson, Vincent E.; Ghan, Steven; Ovchinnikov, Mikhail; Schanen, David P.; Xiao, Heng; Liu, Xiaohong; Rasch, Philip; Guo, ZhunJOURNAL OF ADVANCES IN MODELING EARTH SYSTEMSALCCCLI063Rasch, Philip2015
A new ensemble-based consistency test for the Community Earth System Model (pyCECT v1.0)10.5194/gmd-8-2829-2015Baker, A. H.; Hammerling, D. M.; Levy, M. N.; Xu, H.; Dennis, J. M.; Eaton, B. E.; Edwards, J.; Hannay, C.; Mickelson, S. A.; Neale, R. B.; Nychka, D.; Shollenberger, J.; Tribbia, J.; Vertenstein, M.; Williamson, D.Geoscientific Model DevelopmentINCITECLI017Washington, Warren2015
A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma10.1016/, S.; Hager, R.; Chang, C. S.; Kwon, J. M.; Parker, S. E.JOURNAL OF COMPUTATIONAL PHYSICSINCITEENV003Chang, C.S.2016
A novel web informatics approach for automated surveillance of cancer mortality trends10.1016/j.jbi.2016.03.027Tourassi, Georgia; Yoon, Hong-Jun; Xu, SonghuaJournal of Biomedical InformaticsDDMED100Tourassi, Georgia2016
A parallel multi-domain solution methodology applied to nonlinear thermal transport problems in nuclear fuel pins10.1016/, Bobby; Berrill, Mark A.; Allu, Srikanth; Hamilton, Steven P.; Sampath, Rahul S.; Clarno, Kevin T.; Dilts, Gary A.JOURNAL OF COMPUTATIONAL PHYSICSALCCNFI011Turner, John2015
A practical approach to reconciling availability, performance, and capacity in provisioning extreme-scale storage systems10.1145/2807591.2807615Wan, Lipeng; Wang, Feiyi; Oral, Sarp; Tiwari, Devesh; Vazhkudai, Sudharshan; Cao, QingSC15 Proceedings of the International Conference for High Performance Computing, Networking, StorageSTAFFSTAFFSTAFF2015
A prospect for computing in porous materials research: Very large fluid flow simulations10.1016/j.jocs.2015.11.013Mattila, Keijo; Puurtinen, Tuomas; Hyvaluoma, Jari; Surmas, Rodrigo; Myllys, Markko; Turpeinen, Tuomas; Robertsen, Fredrik; Westerholm, Jan; Timonen, JussiJOURNAL OF COMPUTATIONAL SCIENCEINCITECSC102Smith, Lorna2016
A scalable geometric multigrid method for non-symmetric linear systems arising from elliptic equationsEsmaily-Moghadam, M.; Jofre, L; Iaccarino, G.; Mani, A.Stanford University Center for Turbulence ResearchALCCCSC188Robert Voigt2015
A twentieth-century reanalysis forced ocean model to reconstruct the North Atlantic climate variation during the 1920s10.1007/s00382-014-2267-5Mueller, W. A.; Matei, D.; Bersch, M.; Jungclaus, J. H.; Haak, H.; Lohmann, K.; Compo, G. P.; Sardeshmukh, P. D.; Marotzke, J.CLIMATE DYNAMICSINCITECLI028Compo, Gilbert2015
AIM for Allostery: Using the Ising Model to Understand Information Processing and Transmission in Allosteric Biomolecular Systems10.3390/e17052895LeVine, Michael V.; Weinstein, HarelENTROPYALCCBIP109Weinstein, Harel2015
AP1000 PWR Startup Core Modeling and Simulation with CASL-CS (ANFM V)Franceschini, Fausto; GODFREY, ANDREW; STIMPSON, SHANE; EVANS, THOMAS; COLLINS, BENJAMIN; GEHIN, JESS; TURNER, JOHN; Graham, Aaron; Downar, ThomasF Advances in Nuclear Fuel Management V (ANFM 2015)ES_2013 & (ALCC)NFI101 & (NFI011)Turner, John2015
Ab initio Bogoliubov coupled cluster theory for open-shell nuclei10.1103/PhysRevC.91.064320Signoracci, A.; Duguet, T.; Hagen, G.; Jansen, G. R.PHYSICAL REVIEW CINCITENPH008Vary, James P.2015
Ab initio Calculation of the np -> d gamma Radiative Capture Process10.1103/PhysRevLett.115.132001Beane, Silas R.; Chang, Emmanuel; Detmold, William; Orginos, Kostas; Parreo, Assumpta; Savage, Martin J.; Tiburzi, Brian C.PHYSICAL REVIEW LETTERSALCCNPH104Savage, Martin2015
Absolute single-photoionization cross sections of Se2+: Experiment and theory10.1103/PhysRevA.92.063424Macaluso, D. A.; Aguilar, A.; Kilcoyne, A. L. D.; Red, E. C.; Bilodeau, R. C.; Phaneuf, R. A.; Sterling, N. C.; McLaughlin, B. M.PHYSICAL REVIEW AINCITE; DDCHM052, MPH102Pindzola, Michael2015
Accelerated application development: The ORNL Titan experience10.1016/j.compeleceng.2015.04.008Joubert, Wayne; Archibald, Rick; Berrill, Mark; Brown, W. Michael; Eisenbach, Markus; Grout, Ray; Larkin, Jeff; Levesque, John; Messer, Bronson; Norman, Matt; Philip, Bobby; Sankaran, Ramanan; Tharrington, Arnold; Turner, JohnCOMPUTERS & ELECTRICAL ENGINEERINGSTAFFSTAFFSTAFF2015
Accelerating Time Integration for the Shallow Water Equations on the Sphere Using GPUs10.1016/j.procs.2015.05.470Archibald, R.; Evans, K. J.; Salinger, A.INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE, ICCS 2015 COMPUTATIONAL SCIENCE AT THE GATES OF NATUREDDCLI106Evans, Katherine2015
Accelerating dissipative particle dynamics simulations for soft matter systems10.1016/j.commatsci.2014.10.068Trung Dac Nguyen, undefined; Plimpton, Steven J.COMPUTATIONAL MATERIALS SCIENCEDDMAT123Nguyen, Trung Dac2015
Accurate nuclear radii and binding energies from a chiral interaction10.1103/PhysRevC.91.051301Ekstroem, A.; Jansen, G. R.; Wendt, K. A.; Hagen, G.; Papenbrock, T.; Carlsson, B. D.; Forssen, C.; Hjorth-Jensen, M.; Navratil, P.; Nazarewicz, W.PHYSICAL REVIEW CINCITENPH008Vary, James P.2015
Activation of CH4 by Th+ as Studied by Guided Ion Beam Mass Spectrometry and Quantum Chemistry10.1021/acs.inorgchem.5b00137Cox, Richard M.; Armentrout, P. B.; de Jong, Wibe A.INORGANIC CHEMISTRYINCITECHP101Dixon, David2015
Activation of Cu(111) surface by decomposition into nanoclusters driven by CO adsorption10.1126/science.aad8868Eren, Baran; Zherebetskyy, Danylo; Patera, Laerte L.; Wu, Cheng Hao; Bluhm, Hendrik; Africh, Cristina; Wang, Lin-Wang; Somorjai, Gabor A.; Salmeron, MiquelSCIENCEINCITENTI009Wang, Lin-Wang2016
Adding Fault Tolerance to NPB Benchmarks Using ULFM10.1145/2909428.2909434Parchman, Zachary; VALLEE, GEOFFROY; NAUGHTON III, THOMAS; ENGELMANN, CHRISTIAN; BERNHOLDT, DAVID; Scott, StephenFTXS '16 Proceedings of the ACM Workshop on Fault-Tolerance for HPC at Extreme ScaleSTAFFSTF010STAFF2016
Adhesion and Wetting of Soft Nanoparticles on Textured Surfaces: Transition between Wenzel and Cassie-Baxter States10.1021/la5045442Cao, Zhen; Stevens, Mark J.; Carrillo, Jan-Michael Y.; Dobrynin, Andrey V.LANGMUIRSTAFFSTAFFSTAFF2015
Adjoint-based sensitivity analysis of localized ignition in a non-premixed hydrogen-air mixing layer10.2514/6.2016-2153Capecelatro, Jesse; Vishnampet, Ramanathan; Bodony, Daniel; Freund, Jonathan54th AIAA Aerospace Sciences MeetingALCCCSC188Robert Voigt2016
Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations10.1063/1.4934349Han, Yong; Evans, James W.JOURNAL OF CHEMICAL PHYSICSDDMAT112Han, Yong2015
AiiDA: automated interactive infrastructure and database for computational science10.1016/j.commatsci.2015.09.013Pizzi, Giovanni; Cepellotti, Andrea; Sabatini, Riccardo; Marzari, Nicola; Kozinsky, BorisCOMPUTATIONAL MATERIALS SCIENCEINCITEMAT045Kozinsky, Boris2016
Air temperature changes in Svalbard and the surrounding seas from 1865 to 192010.1002/joc.4527Przybylak, R.; Wyszynski, P.; Nordli, O.; Strzyzewski, T.INTERNATIONAL JOURNAL OF CLIMATOLOGYINCITECLI028Compo, Gilbert2016
Albany/FELIX: a parallel, scalable and robust, finite element, first-order Stokes approximation ice sheet solver built for advanced analysis10.5194/gmd-8-1197-2015Tezaur, I. K.; Perego, M.; Salinger, A. G.; Tuminaro, R. S.; Price, S. F.GEOSCIENTIFIC MODEL DEVELOPMENTALCCCLI062Price, Stephen2015
Algebraic Multigrid on a Dragonfly Network: First Experiences on a Cray XC3010.1007/978-3-319-17248-4_1Gahvari, Hormozd; Gropp, William; Jordan, Kirk E.; Schulz, Martin; Yang, Ulrike MeierHIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING, AND SIMULATIONINCITECSC103Oliker, Leonid2015
All-Atom Molecular Dynamics of Virus Capsids as Drug Targets10.1021/acs.jpclett.6b00517Perilla, Juan R.; Hadden, Jodi A.; Goh, Boon Chong; Mayne, Christopher G.; Schulten, KlausJOURNAL OF PHYSICAL CHEMISTRY LETTERSINCITEBIP115Schulten, Klaus2016
Allosteric Mechanisms of Molecular Machines at the Membrane: Transport by Sodium-Coupled Symporters10.1021/acs.chemrev.5b00627LeVine, Michael V.; Cuendet, Michel A.; Khelashvili, George; Weinstein, HarelCHEMICAL REVIEWSALCCBIP109Weinstein, Harel2016
An Approach to Selecting Thread plus Process Mixes for Hybrid MPI plus OpenMP Applications10.1109/CLUSTER.2015.64Gahvari, Hormozd; Schulz, Martin; Yang, Ulrike Meier2015 IEEE INTERNATIONAL CONFERENCE ON CLUSTER COMPUTING - CLUSTER 2015INCITECSC103Oliker, Leonid2015
An Evaluation of OpenSHMEM Interfaces for the Variable-Length Alltoallv() Collective Operation10.1007/978-3-319-26428-8_6Lopez, M. Graham; Shamis, Pavel; Venkata, Manjunath GorentlaOPENSHMEM AND RELATED TECHNOLOGIES: EXPERIENCES, IMPLEMENTATIONS, AND TECHNOLOGIES, OPENSHMEM 2015DDCSC040Imam, Neena2015
An a priori DNS study of the shadow-position mixing model10.1016/j.combustflame.2015.12.009Zhao, Xin-Yu; Bhagatwala, Ankit; Chen, Jacqueline H.; Haworth, Daniel C.; Pope, Stephen B.COMBUSTION AND FLAMEINCITECMB103Chen, Jacqueline2016
An a(0) resonance in strongly coupled pi eta, K(K)over-bar scattering from lattice QCD10.1103/PhysRevD.93.094506Dudek, Jozef J.; Edwards, Robert G.; Wilson, David J.PHYSICAL REVIEW DINCITELGT003Mackenzie, Paul2016
An adaptive lattice Boltzmann scheme for modeling two-fluid-phase flow in porous medium systems10.1002/2015WR018279Dye, Amanda L.; McClure, James E.; Adalsteinsson, David; Miller, Cass T.WATER RESOURCES RESEARCHINCITEGEO106McClure, James2016
An analysis of teleconnections in the Mediterranean region using RegCM410.1002/joc.4383Ciarlo', James M.; Aquilina, Noel J.INTERNATIONAL JOURNAL OF CLIMATOLOGYINCITECLI028Compo, Gilbert2016
An approach for coupled-code multiphysics core simulations from a common input10.1016/j.anucene.2014.11.015Schmidt, Rodney; Belcourt, Kenneth; Hooper, Russell; Pawlowski, Roger; Clarno, Kevin; Simunovic, Srdjan; Slattery, Stuart; Turner, John; Palmtag, ScottANNALS OF NUCLEAR ENERGYALCCNFI011Turner, John2015
An assessment of coupling algorithms for nuclear reactor core physics simulations10.1016/, Steven; Berrill, Mark; Clarno, Kevin; Pawlowski, Roger; Toth, Alex; Kelley, C. T.; Evans, Thomas; Philip, BobbyJOURNAL OF COMPUTATIONAL PHYSICSALCCNFI011/12/13Turner, John2016
An auxiliary-field quantum Monte Carlo study of the chromium dimer10.1063/1.4906829Purwanto, Wirawan; Zhang, Shiwei; Krakauer, HenryJOURNAL OF CHEMICAL PHYSICSINCITECHM048Zhang, Shiwei2015
An efficient tensor transpose algorithm for multicore CPU, Intel Xeon Phi, and NVidia Tesla GPU10.1016/j.cpc.2014.12.013Lyakh, Dmitry I.COMPUTER PHYSICS COMMUNICATIONSSTAFFSTAFFSTAFF2015
An empirical study of redundant array of independent solid-state drives (RAIS)10.1007/s10586-015-0421-4Kim, YoungjaeCLUSTER COMPUTING-THE JOURNAL OF NETWORKS SOFTWARE TOOLS AND APPLICATIONSSTAFFSTAFFSTAFF2015
An evaluation of experimental decadal predictions using CCSM410.1007/s00382-014-2212-7Karspeck, A.; Yeager, S.; Danabasoglu, G.; Teng, H.CLIMATE DYNAMICSINCITECLI017Washington, Warren2015
An implicit delta f particle-in-cell method with sub-cycling and orbit averaging for Lorentz ions10.1016/, Benjamin J.; Parker, Scott E.; Chen, Yang; Hause, Benjamin B.JOURNAL OF COMPUTATIONAL PHYSICSINCITE & ALCCENV003Chang, CS2016
Analysis of Application Sensitivity to System Performance Variability in a Dynamic Task Based RuntimeShipman, Galen; McCormick, Patrick; Pedretti, Keven; Sankaran, Ramanan; Ferreira, Brian; Olivier, StephenSC15, Proceedings of the Workshop on Runtime Systems for Extreme Scale Programming Models and ArchitecturesINCITECMB103Chen, Jacqueline2015
Analysis of high-pressure Diesel fuel injection processes using LES with real-fluid thermodynamics and transport10.1016/j.proci.2014.06.072Lacaze, Guilhem; Misdariis, Antony; Ruiz, Anthony; Oefelein, Joseph C.PROCEEDINGS OF THE COMBUSTION INSTITUTEALCCCMB108Oefelein, Joseph2015
Analysis of hydrodynamic fluctuations in heterogeneous adjacent multidomains in shear flow10.1103/PhysRevE.93.033312Bian, Xin; Deng, Mingge; Tang, Yu-Hang; Karniadakis, George EmPHYSICAL REVIEW EINCITEBIP118Karniadakis, George2016
AnalyzeThis: an analysis workflow-aware storage system10.1145/2807591.2807622Sim, Hyogi; Kim, Youngjae; Vazhkudai, Sudharshan; Anwar, Ali; Butt, Ali; Ramakrishnan, LavanyaSC15 Proceedings of the International Conference for High Performance Computing, Networking, Storage and AnalysisSTAFFSTAFFSTAFF2015
Analyzing the Interplay of Failures and Workload on a Leadership-Class SupercomputerMeneses, Esteban (University of Pittsburgh); Ni, Xiang (University of Illinois; Urbana-Champaign), Jones; Terry R. (ORNL), MaxwellPROCEEDINGS OF THE CRAY USER GROUPDDCSC138Jones, Terry2015
Anticorrelation between Surface and Subsurface Point Defects and the Impact on the Redox Chemistry of TiO2(110)10.1002/cphc.201402599Yoon, Yeohoon; Du, Yingge; Garcia, Juan C.; Zhu, Zihua; Wang, Zhi-Tao; Petrik, Nikolay G.; Kimmel, Gregory A.; Dohnalek, Zdenek; Henderson, Michael A.; Rousseau, Roger; Deskins, N. Aaron; Lyubinetsky, IgorCHEMPHYSCHEMINCITE`CHM026Mundy, Christopher2015
Application configuration selection for energy-efficient execution on multicore systems10.1016/j.jpdc.2015.09.003Wang, Shinan; Luo, Bing; Shi, Weisong; Tiwari, DeveshJOURNAL OF PARALLEL AND DISTRIBUTED COMPUTINGSTAFFSTAFFSTAFF2016
Application of High Performance Computing for Simulating Cycle-to-Cycle Variation in Dual-Fuel Combustion Engines10.4271/2016-01-0798Jupudi, Ravichandra; Finney, Charles E.A.; Primus, Roy; Wijeyakulasuriya, Sameera; Klingbeil, Adam; Tamma, Bhaskar; Stoyanov, MiroslavSAE Technical Papers2016
Application of High Performance Computing for Studying Cyclic Variability in Dilute Internal Combustion Engines10.1115/ICEF2015-1172Finney, Charles; Dean Edwards, K; Stoyanov, Miroslav; Wagner, RobertASME 2015 Internal Combustion Engine Division Fall Technical ConferenceALCCCMB106Finney, Charles2016
Applications of Polarizable Continuum Models To Determine Accurate Solution-Phase Thermochemical Values Across a Broad Range of Cation Charge - The Case of U(III-VI)10.1021/ct500530qParmar, Payal; Samuels, Alex; Clark, Aurora E.JOURNAL OF CHEMICAL THEORY AND COMPUTATIONINCITECHP101Dixon, David2015
Atmospheric and oceanic conditions and the extremely low Bothnian Bay sea ice extent in 2014/201510.1002/2015GL064901Uotila, Petteri; Vihma, Timo; Haapala, JariGEOPHYSICAL RESEARCH LETTERSINCITECLI028Compo, Gilbert2015
Atmospheric circulation patterns associated with extreme cold winters in the UK10.1002/wea.2476Burgess, Madlen L.; Klingaman, Nicholas P.WEATHERINCITECLI028Compo, Gilbert2015
Atmospheric rivers do not explain UK summer extreme rainfall10.1002/2014JD022863Champion, Adrian J.; Allan, Richard P.; Lavers, David A.JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERESINCITECLI028Compo, Gilbert2015
Atomic Modeling of an Immature Retroviral Lattice Using Molecular Dynamics and Mutagenesis10.1016/j.str.2015.05.017Goh, Boon Chong; Perilla, Juan R.; England, Matthew R.; Heyrana, Katrina J.; Craven, Rebecca C.; Schulten, KlausSTRUCTUREINCITEBIO024Schulten, Klaus2015
Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing10.1016/j.parco.2015.10.015Stone, John E.; Sener, Melih; Vandivort, Kirby L.; Barragan, Angela; Singharoy, Abhishek; Teo, Ivan; Ribeiro, Joao V.; Isralewitz, Barry; Liu, Bo; Goh, Boon Chong; Phillips, James C.; MacGregor-Chatwin, Craig; Johnson, Matthew P.; Kourkoutis, Lena F.; Hunter, C. Neil; Schulten, KlausPARALLEL COMPUTINGINCITEBIP115Schulten, Klaus2016
Atomic-Level Sculpting of Crystalline Oxides: Toward Bulk Nanofabrication with Single Atomic Plane Precision10.1002/smll.201502048Jesse, Stephen; He, Qian; Lupini, Andrew R.; Leonard, Donovan N.; Oxley, Mark P.; Ovchinnikov, Oleg; Unocic, Raymond R.; Tselev, Alexander; Fuentes-Cabrera, Miguel; Sumpter, Bobby G.; Pennycook, Stephen J.; Kalinin, Sergei V.; Borisevich, Albina Y.SMALLDDMAT101Sumpter, Bobby2015
Attributing observed Greenland responses to natural and anthropogenic climate forcings10.1007/s00382-015-2514-4Andres, Heather J.; Peltier, W. R.CLIMATE DYNAMICSINCITECLI028Compo, Gilbert2015
Augmenting drug-carrier compatibility improves tumour nanotherapy efficacy10.1038/ncomms11221Zhao, Yiming; Fay, Francois; Hak, Sjoerd; Perez-Aguilar, Jose Manuel; Sanchez-Gaytan, Brenda L.; Goode, Brandon; Duivenvoorden, Raphael; Davies, Catharina de Lange; Bjorkoy, Astrid; Weinstein, Harel; Fayad, Zahi A.; Perez-Medina, Carlos; Mulder, Willem J. M.NATURE COMMUNICATIONSDDBIP109Weinstein, Harel2016
Auxiliary-field quantum Monte Carlo calculations of the molybdenum dimer10.1063/1.4954245Purwanto, Wirawan; Zhang, Shiwei; Krakauer, HenryJOURNAL OF CHEMICAL PHYSICSDDCPH107Zhang, Shiwei2016
BCL::MP-fold: Membrane protein structure prediction guided by EPR restraints10.1002/prot.24801Fischer, Axel W.; Alexander, Nathan S.; Woetzel, Nils; Karakas, Mert; Weiner, Brian E.; Meiler, JensPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICSDDLSC100Meiler, Jens2015
BCL::SAXS: GPU accelerated Debye method for computation of small angle X-ray scattering profiles10.1002/prot.24838Putnam, Daniel K.; Weiner, Brian E.; Woetzel, Nils; Lowe, Edward W.; Meiler, JensPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICSDDLSC100Meiler, Jens2015
BIG DATA Next-Generation Machines for Big Science10.1109/MCSE.2015.78Hack, James J.; Papka, Michael E.COMPUTING IN SCIENCE & ENGINEERINGSTAFFSTAFFSTAFF2015
Basis Light-Front Quantization: Recent Progress and Future Prospects10.1007/s00601-016-1117-xVary, James P.; Adhikari, Lekha; Chen, Guangyao; Li, Yang; Maris, Pieter; Zhao, XingboFEW-BODY SYSTEMSINCITENPH008Vary, James2016
Benchmarking density functionals for hydrogen-helium mixtures with quantum Monte Carlo: Energetics, pressures, and forces10.1103/PhysRevB.93.035121Clay, Raymond C.; Holzmann, Markus; Ceperley, David M.; Morales, Miguel A.PHYSICAL REVIEW BINCITECPH103Ceperley, David2016
Beyond Atomic Sizes and Hume-Rothery Rules: Understanding and Predicting High-Entropy Alloys10.1007/s11837-015-1594-2Troparevsky, M. Claudia; Morris, James R.; Daene, Markus; Wang, Yang; Lupini, Andrew R.; Stocks, G. MalcolmJOMINCITEMAT020Eisenbach, Markus2015
Big-deep-smart data in imaging for guiding materials design10.1038/NMAT4395Kalinin, Sergei V.; Sumpter, Bobby G.; Archibald, Richard K.NATURE MATERIALSDDMAT101, CSC121Sumpter, Bobby2015
Black carbon aerosol-induced Northern Hemisphere tropical expansion10.1002/2015GL064559Kovilakam, Mahesh; Mahajan, SalilGEOPHYSICAL RESEARCH LETTERSDDCLI106Evans, Katherine2015
Boosting the accuracy and speed of quantum Monte Carlo: Size consistency and time step10.1103/PhysRevB.93.241118Zen, Andrea; Sorella, Sandro; Gillan, Michael J.; Michaelides, Angelos; Alfe, DarioPHYSICAL REVIEW BCHP005DD_2016Dario Alfe2016
Bound-preserving discontinuous Galerkin methods for conservative phase space advection in curvilinear coordinates10.1016/, Eirik; Hauck, Cory D.; Xing, Yulong; Mezzacappa, AnthonyJOURNAL OF COMPUTATIONAL PHYSICSINCITEAST005Mezzacappa, Anthony2015
COMPARISONS OF TWO- AND THREE-DIMENSIONAL CONVECTION IN TYPE I X-RAY BURSTS10.1088/0004-637X/807/1/60Zingale, M.; Malone, C. M.; Nonaka, A.; Almgren, A. S.; Bell, J. B.ASTROPHYSICAL JOURNALINCITEAST006Woosley, Stan2015
Canine CNGA3 Gene Mutations Provide Novel Insights into Human Achromatopsia-Associated Channelopathies and Treatment10.1371/journal.pone.0138943Tanaka, Naoto; Dutrow, Emily V.; Miyadera, Keiko; Delemotte, Lucie; MacDermaid, Christopher M.; Reinstein, Shelby L.; Crumley, William R.; Dixon, Christopher J.; Casal, Margret L.; Klein, Michael L.; Aguirre, Gustavo D.; Tanaka, Jacqueline C.; Guziewicz, Karina E.PLOS ONEINCITEMAT045Klein, Michael2015
Challenges in nuclear structure theory10.1088/0954-3899/43/4/044002Nazarewicz, W.JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICSINCITENPH008Vary, James2016
Changes in dominant moisture sources and the consequences for hydroclimate on the northeastern Tibetan Plateau during the past 32 kyr10.1016/j.quascirev.2015.11.003Thomas, Elizabeth K.; Huang, Yongsong; Clemens, Steven C.; Colman, Steven M.; Morrill, Carrie; Wegener, Pamela; Zhao, JiangtaoQUATERNARY SCIENCE REVIEWSINCITECLI017Washington, Warren2016
Characterization of DWARF14 Genes in Populus10.1038/srep21593Zheng, Kaijie; Wang, Xiaoping; Weighill, Deborah A.; Guo, Hao-Bo; Xie, Meng; Yang, Yongil; Yang, Jun; Wang, Shucai; Jacobson, Daniel A.; Guo, Hong; Muchero, Wellington; Tuskan, Gerald A.; Chen, Jin-GuiSCIENTIFIC REPORTSDDBIF102Jacobson, Dan2016
Characterizing the inverses of block tridiagonal, block Toeplitz matrices10.1088/1749-4699/8/1/015001BOFFI, NICHOLAS; HILL, JUDY; REUTER, MATTHEWComputational Science and DiscoverySTAFFSTAFFSTAFF2015
Charge density waves in disordered media circumventing the Imry-Ma argument10.1038/srep31897Changlani, Hitesh J.; Tubman, Norm M.; Hughes, Taylor L.SCIENTIFIC REPORTS2016
Charge transport in DNA nanowires connected to carbon nanotubes10.1103/PhysRevB.92.075429Tan, Bikan; Hodak, Miroslav; Lu, Wenchang; Bernholc, J.PHYSICAL REVIEW BDDNTI015Sumpter, Bobby2015
Charm and strange quark masses and f(Ds) from overlap fermions10.1103/PhysRevD.92.034517Yang, Yi-Bo; Chen, Ying; Alexandru, Andrei; Dong, Shao-Jing; Draper, Terrence; Gong, Ming; Lee, Frank X.; Li, Anyi; Liu, Keh-Fei; Liu, Zhaofeng; Lujan, MichaelPHYSICAL REVIEW DALCCNPH102Liu, Keh-Fei2015
China experiencing the recent warming hiatus10.1002/2014GL062773Li, Qingxiang; Yang, Su; Xu, Wenhui; Wang, Xiaolan L.; Jones, Phil; Parker, David; Zhou, Liming; Feng, Yang; Gao, YunGEOPHYSICAL RESEARCH LETTERSINCITECLI028Compo, Gilbert2015
Climate Science Performance, Data and Productivity on TitanMayer, Benjamin W. (ORNL); Worley, Patrick H. (ORNL); Gaddis, Abigail L. (ORNL); Silva, Rafael Ferreira da (University of Southern CaliforniaPROCEEDINGS OF THE CRAY USER GROUPDD, ALCC, and INCITEcli049, cli101, cli106, cli107, cli112, cli115​-2015
Climate teleconnections and indicators of coastal systems response10.1016/j.ocecoaman.2016.01.009Gutierrez, Ofelia; Panario, Daniel; Nagy, Gustavo J.; Bidegain, Mario; Montes, CarlosOCEAN & COASTAL MANAGEMENTINCITECLI028Compo, Gilbert2016
Clover: Compiler Directed Lightweight Soft Error Resilience10.1145/2670529.2754959Liu, Qingrui; Jung, Changhee; Lee, Dongyoon; Tiwari, DeveshACM SIGPLAN NOTICESSTAFFSTAFFSTAFF2015
Cluster assisted water dissociation mechanism in MOF-74 and controlling it using helium10.1039/c6ta02501cZuluaga, Sebastian; Fuentes-Fernandez, Erika M. A.; Tan, Kui; Li, Jing; Chabal, Yves J.; Thonhauser, TimoJOURNAL OF MATERIALS CHEMISTRY ADDCHP109Timo Thonhauser2016
Cluster expansion modeling and Monte Carlo simulation of alnico 5-7 permanent magnets10.1063/1.4914036Manh Cuong Nguyen, undefined; Zhao, Xin; Wang, Cai-Zhuang; Ho, Kai-MingJOURNAL OF APPLIED PHYSICSINCITEMAT046Harmon, Bruce2015
Coadsorbed Species Explain the Mechanism of Methanol Temperature-Programmed Desorption on CeO2(111)10.1021/acs.jpcc.6b02128Sutton, Jonathan E.; Overbury, Steven H.; Beste, ArianaJOURNAL OF PHYSICAL CHEMISTRY CDDCHM110Beste, Ariana2016
Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo10.1063/1.4947569Santana, Juan A.; Krogel, Jaron T.; Kent, Paul R. C.; Reboredo, Fernando A.JOURNAL OF CHEMICAL PHYSICSINCITECPH103Ceperley, Daivid2016
Cold surges and dust events: Establishing the link between the East Asian Winter Monsoon and the Chinese loess record10.1016/j.quascirev.2016.04.015Wyrwoll, Karl-Heinz; Wei, Junghong; Lin, Zhaohui; Shao, Yaping; He, FenQuaternary Science ReviewsINCITECLI017Warren Washington2016
Collective rotation from ab initio theory10.1142/S0218301315410025Caprio, M. A.; Maris, P.; Vary, J. P.; Smith, R.INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICSINCITENPH008Vary, James P.2015
Combining Phase Identification and Statistical Modeling for Automated Parallel Benchmark Generation10.1145/2858788.2688541Ye, Jin; Ma, Xiaosong; LIU, QING; LOGAN, JEREMY; KLASKY, SCOTT; Jong, Choi; PODHORSZKI, NORBERTPPoPP 2015 Proceedings of the 20th ACM SIGPLAN Symposium on Principles and Practice of Parallel ProgrammingDDCSC143Klasky, Scott A.2015
Communication Characterization and Optimization of Applications Using Topology-Aware Task Mapping on Large Supercomputers10.1145/2851553.2851575Sreepathi, Sarat; D'Azevedo, Ed; Worley, Patrick; Philip, BobbyICPE '16 Proceedings of the 7th ACM/SPEC on International Conference on Performance EngineeringINCITEENV003Chang, C.S.2016
Communication: Water on hexagonal boron nitride from diffusion Monte Carlo10.1063/1.4921106Al-Hamdani, Yasmine S.; Ma, Ming; Alfe, Dario; von Lilienfeld, O. Anatole; Michaelides, AngelosJOURNAL OF CHEMICAL PHYSICSINCITECPH005Alfe, Dario2015
Comparative Exploration of Hydrogen Sulfide and Water Transmembrane Free Energy Surfaces via Orthogonal Space Tempering Free Energy Sampling10.1002/jcc.23982Lv, Chao; Aitchison, Erick W.; Wu, Dongsheng; Zheng, Lianqing; Cheng, Xiaolin; Yang, WeiJOURNAL OF COMPUTATIONAL CHEMISTRYDDBIP023Cheng, Xiaolin2016
Comparative I/O Workload Characterization of Two Leadership Class Storage Clusters10.1145/2834976.2834985GUNASEKARAN, RAGHUL; ORAL, HAKKI; HILL, JASON; MILLER, ROSS; WANG, FEIYI; LEVERMAN, DUSTINPDSW '15 Proceedings of the 10th Parallel Data Storage WorkshopSTAFFSTAFFSTAFF2015
Comparing Trends in the Southern Annular Mode and Surface Westerly Jet10.1175/JCLI-D-15-0334.1Swart, Neil C.; Fyfe, John C.; Gillett, Nathan; Marshall, Gareth J.JOURNAL OF CLIMATEINCITECLI028Compo, Gilbert2015
Competing Kinetics and He Bubble Morphology in W10.1103/PhysRevLett.114.105502Sandoval, Luis; Perez, Danny; Uberuaga, Blas P.; Voter, Arthur F.PHYSICAL REVIEW LETTERSALCCFUS049Wirth, Brian2015
Competition and allostery govern substrate selectivity of cyclooxygenase-210.1073/pnas.1507307112Mitchener, Michelle M.; Hermanson, Daniel J.; Shockley, Erin M.; Brown, H. Alex; Lindsley, Craig W.; Reese, Jeff; Rouzer, Carol A.; Lopez, Carlos F.; Marnett, Lawrence J.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICADDSYB100Lopez, Carlos2015
Competitive lithium solvation of linear and cyclic carbonates from quantum chemistry10.1039/c5cp05121eBorodin, Oleg; Olguin, Marco; Ganesh, P.; Kent, Paul R. C.; Allen, Joshua L.; Henderson, Wesley A.PHYSICAL CHEMISTRY CHEMICAL PHYSICSDDMAT022Sumpter, Bobby2016
Complex-energy approach to sum rules within nuclear density functional theory10.1103/PhysRevC.91.044323Hinohara, Nobuo; Kortelainen, Markus; Nazarewicz, Witold; Olsen, ErikPHYSICAL REVIEW CINCITENPH008Vary, James P.2015
Computational approaches to detect allosteric pathways in transmembrane molecular machines10.1016/j.bbamem.2016.01.010Stolzenberg, Sebastian; Michino, Mayako; LeVine, Michael V.; Weinstein, Harel; Shi, LeiBIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANESALCCBIP109Harel Weinstein2016
Computational modeling of the N-terminus of the human dopamine transporter and its interaction with PIP2-containing membranes10.1002/prot.24792Khelashvili, George; Doktorova, Milka; Sahai, Michelle A.; Johner, Niklaus; Shi, Lei; Weinstein, HarelPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICSALCCBIP109Weinstein, Harel2015
Computer Simulations of Bottle Brushes: From Melts to Soft Networks10.1021/acs.macromol.5b00682Cao, Zhen; Carrillo, Jan-Michael Y.; Sheiko, Sergei S.; Dobrynin, Andrey V.MACROMOLECULES2015
Conformations of Organophosphine Oxides10.1021/acs.jpca.5b04687De Silva, Nuwan; Zahariev, Federico; Hay, Benjamin P.; Gordon, Mark S.; Windus, Theresa L.JOURNAL OF PHYSICAL CHEMISTRY ADDCHM101Windus, Theresa2015
Confronting Weather and Climate Models with Observational Data from Soil Moisture Networks over the United States10.1175/JHM-D-15-0196.1Dirmeyer, Paul A.; Wu, Jiexia; Norton, Holly E.; Dorigo, Wouter A.; Quiring, Steven M.; Ford, Trenton W.; Santanello, Joseph A.; Bosilovich, Michael G.; Ek, Michael B.; Koster, Randal D.; Balsamo, Gianpaolo; Lawrence, David M.JOURNAL OF HYDROMETEOROLOGYINCITECLI028Compo, Gilbert2016
Confronting the "Indian summer monsoon response to black carbon aerosol" with the uncertainty in its radiative forcing and beyond10.1002/2016JD024866Kovilakam, Mahesh; Mahajan, SalilJOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES2016
Conjunctive management of surface and groundwater resources under projected future climate change scenarios10.1016/j.jhydrol.2016.06.021Clark, Brian; Mani, Amir; Sargent, Pierre; Tsai, Frank; KAO, SHIH-CHIEH; NAZ, BIBI; ASHFAQ, MOETASIM; RASTOGI, DEEKSHAJournal of HydrologyDDCLI106Kate Evans2016
Consistency tests of classical and quantum models for a quantum annealer10.1103/PhysRevA.91.042314Albash, Tameem; Vinci, Walter; Mishra, Anurag; Warburton, Paul A.; Lidar, Daniel A.PHYSICAL REVIEW AALCCPHY103Hen, Itay2015
Consistent evidence of increasing Antarctic accumulation with warming10.1038/nclimate2574Frieler, Katja; Clark, Peter U.; He, Feng; Buizert, Christo; Reese, Ronja; Ligtenberg, Stefan R. M.; van den Broeke, Michiel R.; Winkelmann, Ricarda; Levermann, AndersNATURE CLIMATE CHANGEINCITECLI017Washington, Warren2015
Continuum and three-nucleon force effects on Be-9 energy levels10.1103/PhysRevC.91.021301Langhammer, Joachim; Navratil, Petr; Quaglioni, Sofia; Hupin, Guillaume; Calci, Angelo; Roth, RobertPHYSICAL REVIEW CINCITENPH008Vary, James P.2015
Contrasting interannual and multidecadal NAO variability10.1007/s00382-014-2237-yWoollings, T.; Franzke, C.; Hodson, D. L. R.; Dong, B.; Barnes, E. A.; Raible, C. C.; Pinto, J. G.CLIMATE DYNAMICSINCITECLI028Compo, Gilbert2015
Controlling excited-state contamination in nucleon matrix elements10.1103/PhysRevD.93.114506Yoon, Boram; Gupta, Rajan; Bhattacharya, Tanmoy; Engelhardt, Michael; Green, Jeremy; Joo, Balint; Lin, Huey-Wen; Negele, John; Orginos, Kostas; Pochinsky, Andrew; Richards, David; Syritsyn, Sergey; Winter, FrankPHYSICAL REVIEW DALCCNPH110Gupta, Rajan2016
Cosolvent pretreatment in cellulosic biofuel production: effect of tetrahydrofuran-water on lignin structure and dynamics10.1039/c5gc01952dSmith, Micholas Dean; Mostofian, Barmak; Cheng, Xiaolin; Petridis, Loukas; Cai, Charles M.; Wyman, Charles E.; Smith, Jeremy C.GREEN CHEMISTRYINCITEBIP141Smith, Jeremy2016
Coupled Diffusion in Lipid Bilayers upon Close Approach10.1021/ja508803dPronk, Sander; Lindahl, Erik; Kasson, Peter M.JOURNAL OF THE AMERICAN CHEMICAL SOCIETYINCITECSC102Smith, Lorna2015
Coupled pi pi, K(K)over-bar scattering in P-wave and the rho resonance from lattice QCD10.1103/PhysRevD.92.094502Wilson, David J.; Briceno, Raul A.; Dudek, Jozef J.; Edwards, Robert G.; Thomas, Christopher E.PHYSICAL REVIEW DALCCNPH103Edwards, Robert2015
Coupling extended magnetohydrodynamic fluid codes with radiofrequency ray tracing codes for fusion modeling10.1016/, Thomas G.; Held, Eric D.JOURNAL OF COMPUTATIONAL PHYSICSDDFUS045Jenkins, Thomas2015
Curvature of the freeze-out line in heavy ion collisions10.1103/PhysRevD.93.014512Bazavov, A.; Ding, H. -T.; Hegde, P.; Kaczmarek, O.; Karsch, F.; Laermann, E.; Mukherjee, Swagato; Ohno, H.; Petreczky, P.; Schmidt, C.; Sharma, S.; Soeldner, W.; Wagner, M.PHYSICAL REVIEW DALCCNPH109Mukherjee, Swagato2016
DETECTION OF LENSING SUBSTRUCTURE USING ALMA OBSERVATIONS OF THE DUSTY GALAXY SDP. 8110.3847/0004-637X/823/1/37Hezaveh, Yashar D.; Dalal, Neal; Marrone, Daniel P.; Mao, Yao-Yuan; Morningstar, Warren; Wen, Di; Blandford, Roger D.; Carlstrom, John E.; Fassnacht, Christopher D.; Holder, Gilbert P.; Kemball, Athol; Marshall, Philip J.; Murray, Norman; Levasseur, Laurence Perreault; Vieira, Joaquin D.; Wechsler, Risa H.ASTROPHYSICAL JOURNALINCITEAST102Warren, Michael S.2016
DNS and LES of turbulent flow in a closed channel featuring a pattern of hemispherical roughness elements10.1016/j.ijheatfluidflow.2015.01.002Chatzikyriakou, D.; Buongiorno, J.; Caviezel, D.; Lakehal, D.INTERNATIONAL JOURNAL OF HEAT AND FLUID FLOWALCCNFI013Turner, John2015
DNS of a turbulent lifted DME jet flame10.1016/j.combustflame.2016.04.007Minamoto, Yuki; Chen, Jacqueline H.COMBUSTION AND FLAMEINCITECMB103Chen, Jacqueline2016
DNS of turbulent flow with hemispherical wall roughness10.1080/14685248.2014.989231Mishra, Anand V.; Bolotnov, Igor A.JOURNAL OF TURBULENCEALCCNFI012Turner, John2015
Damage at a tungsten surface induced by impacts of self-atoms10.1016/j.jnucmat.2015.09.049Wu, Yong; Krstic, Predrag; Zhou, Fu Yang; Meyer, FredJOURNAL OF NUCLEAR MATERIALSDDPMPH100Krstic, Predrag2015
Data Transfer Study for HPSS ArchivingWynne, James (ORNL); Parete-Koon, Suzanne T. (ORNL); Mitchell, Quinn (ORNL); White, Stanley R. (ORNL); Barron, Thomas E. (ORNL)PROCEEDINGS OF THE CRAY USER GROUPSTAFFSTAFFSTAFF2015
Delayed Update Algorithms for Quantum Monte Carlo Simulation on GPU10.1145/2949550.2949579McDaniel, Tyler; Kent, Paul; D'Azevedo, Ed; Wong, Ming; Li, Yin Wai; Wong, KwaiXSEDE162016
Delivering Science on Day One10.1109/MCSE.2016.22Williams, Timothy J.COMPUTING IN SCIENCE & ENGINEERINGALCCCSC192Straatsma, Tjerk2016
Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI310.1021/jp511123sWang, Yun; Sumpter, Bobby G.; Huang, Jingsong; Zhang, Haimin; Liu, Porun; Yang, Huagui; Zhao, HuijunJOURNAL OF PHYSICAL CHEMISTRY CDDMAT101Sumpter, Bobby2015
Density-functional Monte-Carlo simulation of CuZn order-disorder transition10.1103/PhysRevB.93.024203Khan, S. N.; Eisenbach, MarkusPHYSICAL REVIEW BINCITEMAT020Eisenbach, Marcus2016
Description of induced nuclear fission with Skyrme energy functionals. II. Finite temperature effects10.1103/PhysRevC.91.034327Schunck, N.; Duke, D.; Carr, H.PHYSICAL REVIEW CINCITENPH008Vary, James P.2015
Deuteron-induced nucleon transfer reactions within an ab initio framework: First application to p-shell nuclei10.1103/PhysRevC.93.054606Raimondi, Francesco; Hupin, Guillaume; Navratil, Petr; Quaglioni, SofiaPHYSICAL REVIEW CINCITENPH008Vary, James2016
Developing MiniApps on Modern Platforms Using Multiple Programming Models10.1109/CLUSTER.2015.130Messer, O. E. B.; D'Azevedo, E.; Hill, J.; Joubert, W.; Laosooksathit, S.; Tharrington, A.2015 IEEE INTERNATIONAL CONFERENCE ON CLUSTER COMPUTING - CLUSTER 2015STAFFSTAFFSTAFF2015
Development of COBRA-TF for Modeling Full-Core Reactor Operating CyclesSALKO JR, ROBERT; LANGE, TRAVIS; Kucukboyaci, Vefa; Sung, Yixing; Palmtag, Scott; GEHIN, JESS; Avramova, MariaAdvances in Nuclear Fuel Management VALCCNFI011Turner, John2015
Development of mpi_EPIC model for global agroecosystem modeling10.1016/j.compag.2014.12.004Kang, S.; Wang, D.; Nichols, J. A.; Schuchart, J.; Kline, K. L.; Wei, Y.; Ricciuto, D. M.; Wullschleger, S. D.; Post, W. M.; Izaurralde, R. C.COMPUTERS AND ELECTRONICS IN AGRICULTUREINCITECLI017; CLI115Washington, Warren; Taylor, Mark2015
Diagnosing the Causes and Severity of One-Sided Message Contention10.1145/2688500.2688516Tallent, Nathan R.; Vishnu, Abhinav; Van Dam, Hubertus; Daily, Jeff; Kerbyson, Darren J.; Hoisie, AdolfyACM SIGPLAN NOTICESINCITECSC103Oliker, Leonid2015
Direct numerical simulations of autoignition in stratified dimethyl-ether (DME)/air turbulent mixtures10.1016/j.combustflame.2014.08.021Bansal, Gaurav; Mascarenhas, Ajith; Chen, Jacqueline H.COMBUSTION AND FLAMEINCITECMB103Chen, Jacqueline2015
Directing Anisotropic Assembly of Metallic Nanoclusters by Exploiting Linear Trio Interactions and Quantum Size Effects: Au Chains on Ag(100) Thin Films10.1021/acs.jpclett.5b00636Han, Yong; Evans, James W.JOURNAL OF PHYSICAL CHEMISTRY LETTERSDDMAT112Han, Yong2015
Discarding Information from Previous Iterations in an Optimal Way To Solve the Coupled Cluster Amplitude Equations10.1021/ct501114qEttenhuber, Patrick; Jorgensen, PoulJOURNAL OF CHEMICAL THEORY AND COMPUTATIONINCITECHP100Jorgensen, Poul2015
Disentangling redshift-space distortions and non-linear bias using the 2D power spectrum10.1093/mnras/stv2989Jennings, Elise; Wechsler, Risa H.; Skillman, Samuel W.; Warren, Michael S.MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETYINCITEAST102Warren, Michael2016
Distribution of Chains in Polymer Brushes Produced by a "Grafting From" Mechanism10.1021/acs.macromol.5b02261Martinez, Andre P.; Carrillo, Jan-Michael Y.; Dobrynin, Andrey V.; Adamsont, Douglas H.MACROMOLECULESEarly ScienceMAT054Hill, Judith2016
Dominating Controls for Wetter South Asian Summer Monsoon in the Twenty-First Century10.1175/JCLI-D-14-00355.1Mei, Rui; Ashfaq, Moetasim; Rastogi, Deeksha; Leung, L. Ruby; Dominguez, FrancinaJOURNAL OF CLIMATEDDATM005Ashfaq, Moetasim2015
EMMA: an adaptive mesh refinement cosmological simulation code with radiative transfer10.1093/mnras/stv1896Aubert, Dominique; Deparis, Nicolas; Ocvirk, PierreMONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETYINCITEAST031Shapiro, Paul2015
Effect of fuel composition and differential diffusion on flame stabilization in reacting syngas jets in turbulent cross-flow10.1016/j.combustflame.2015.06.013Minamoto, Yuki; Kolla, Hemanth; Grout, Ray W.; Gruber, Andrea; Chen, Jacqueline H.COMBUSTION AND FLAMEINCITECMB103Chen, Jacqueline2015
Effects of Sublattice Symmetry and Frustration on Ionic Transport in Garnet Solid Electrolytes10.1103/PhysRevLett.116.055901Kozinsky, Boris; Akhade, Sneha A.; Hirel, Pierre; Hashibon, Adham; Elsaesser, Christian; Mehta, Prateek; Logeat, Alan; Eisele, UlrichPHYSICAL REVIEW LETTERSINCITEMAT045Kozinsky, Boris2016
Effects of electron correlations on transport properties of iron at Earth's core conditions10.1038/nature14090Zhang, Peng; Cohen, R. E.; Haule, K.NATUREALCCCPH105Kotliar, Gabriel2015
Effects of the Mount Pinatubo eruption on decadal climate prediction skill of Pacific sea surface temperatures10.1002/2015GL066608Meehl, Gerald A.; Teng, Haiyan; Maher, Nicola; England, Matthew H.GEOPHYSICAL RESEARCH LETTERSINCITECLI017Washington, Warren2015
Efficient linear-scaling second-order Moller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model10.1063/1.4940732Baudin, Pablo; Ettenhuber, Patrick; Reine, Simen; Kristensen, Kasper; Kjaergaard, ThomasJOURNAL OF CHEMICAL PHYSICSINCITECHP100Jørgensen, Poul2016
Efficient three-dimensional Poisson solvers in open rectangular conducting pipe10.1016/j.cpc.2016.02.012Qiang, JiCOMPUTER PHYSICS COMMUNICATIONS2016
Electromagnetic particle simulation of the effect of toroidicity on linear mode conversion and absorption of lower hybrid waves10.1088/0029-5515/56/6/066007Bao, J.; Lin, Z.; Kuley, A.; Wang, Z. X.NUCLEAR FUSION2016
Electron acceleration by parallel and perpendicular electric fields during magnetic reconnection without guide field10.1002/2015JA021548Bessho, N.; Chen, L. -J.; Germaschewski, K.; Bhattacharjee, A.JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICSDDPHY101Bhattacharjee, Amitava2015
Electron energization and structure of the diffusion region during asymmetric reconnection10.1002/2016GL068243Chen, Li-Jen; Hesse, Michael; Wang, Shan; Bessho, Naoki; Daughton, WilliamGEOPHYSICAL RESEARCH LETTERSINCITEFUS104Daughton, William2016
Electron-impact ionization of the N atom10.1088/0953-4075/48/2/025203Abdel-Naby, S. A.; Pindzola, M. S.; Pearce, A. J.; Ballance, C. P.; Loch, S. D.JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICSINCITECHM052Pindzola, Michael2015
Electronic Properties of Electrical Vortices in Ferroelectric Nanocomposites from Large-Scale Ab Initio Computations10.1021/acs.nanolett.5b00307Gui, Zhigang; Wang, Lin-Wang; Bellaiche, L.NANO LETTERSINCITENTI009Wang, Lin-Wang2015
Elevated temperature alters proteomic responses of individual organisms within a biofilm community10.1038/ismej.2014.113Mosier, Annika C.; Li, Zhou; Thomas, Brian C.; Hettich, Robert L.; Pan, Chongle; Banfield, Jillian F.ISME JOURNALALCCBIP108Pan, Chongle2015
Enabling simulation at the fifth rung of DFT: Large scale RPA calculations with excellent time to solution10.1016/j.cpc.2014.10.021Del Ben, Mauro; Schuett, Ole; Wentz, Tim; Messmer, Peter; Hutter, Juerg; VandeVondele, JoostCOMPUTER PHYSICS COMMUNICATIONSDDCSC122Zeller, Cyrill2015
Energy benchmarks for methane-water systems from quantum Monte Carlo and second-order Moller-Plesset calculations10.1063/1.4926444Gillan, M. J.; Alfe, D.; Manby, F. R.JOURNAL OF CHEMICAL PHYSICSINCITECPH005Alfe, Dario2015
Enhanced sampling simulation analysis of the structure of lignin in the THF-water miscibility gap10.1039/c5cp07088kSmith, Micholas Dean; Petridis, Loukas; Cheng, Xiaolin; Mostofian, Barmak; Smith, Jeremy C.PHYSICAL CHEMISTRY CHEMICAL PHYSICSALCCBIP107Smith, Jeremy2016
Enzymatic Mechanism of Copper-Containing Nitrite Reductase10.1021/bi5007767Li, Yan; Hodak, Miroslav; Bernholc, J.BIOCHEMISTRYDDMAT101Sumpter, Bobby2015
Error analysis in nuclear density functional theory10.1088/0954-3899/42/3/034024Schunck, Nicolas; McDonnell, Jordan D.; Sarich, Jason; Wild, Stefan M.; Higdon, DaveJOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICSINCITENPH008Vary, James P.2015
Estimate of the hadronic vacuum polarization disconnected contribution to the anomalous magnetic moment of the muon from lattice QCD10.1103/PhysRevD.93.074509Chakraborty, Bipasha; Davies, C. T. H.; Koponen, J.; Lepage, G. P.; Peardon, M. J.; Ryan, S. M.PHYSICAL REVIEW DINCITECLI028Compo, Gilbert2016
Estimation of future PM2.5- and ozone-related mortality over the continental United States in a changing climate: An application of high-resolution dynamical downscaling technique10.1080/10962247.2015.1033068Sun, Jian; Fu, Joshua S.; Huang, Kan; Gao, YangJOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATIONINCITECLI017Washington, Warren2015
Evidence for Bolgiano-Obukhov scaling in rotating stratified turbulence using high-resolution direct numerical simulations10.1063/1.4921076Rosenberg, D.; Pouquet, A.; Marino, R.; Mininni, P. D.PHYSICS OF FLUIDSINCITE, STAFFENP008, STAFFKurien, Susan2015
Excited meson radiative transitions from lattice QCD using variationally optimized operators10.1103/PhysRevD.91.114501Shultz, Christian J.; Dudek, Jozef J.; Edwards, Robert G.PHYSICAL REVIEW DALCCNPH103Edwards, Robert2015
Experience with GPUs on the Titan Supercomputer from a Reliability, Performance and Power PerspectiveTiwari, Devesh (ORNL); Gupta, Saurabh (ORNL); Rogers, James H. (ORNL); Maxwell, Don E. (ORNL)PROCEEDINGS OF THE CRAY USER GROUPSTAFFSTAFFSTAFF2015
Experimental characterization and atomistic modeling of interfacial void formation and detachment in short pulse laser processing of metal surfaces covered by solid transparent overlayers10.1007/s00339-016-9944-7Karim, Eaman T.; Shugaev, Maxim V.; Wu, Chengping; Lin, Zhibin; Matsumoto, Hisashi; Conneran, Maria; Kleinert, Jan; Hainsey, Robert F.; Zhigilei, Leonid V.APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSINGDDMAT048Zhigilei, Leonid2016
Explicitly correlated second-order Moller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context10.1063/1.4951696Wang, Yang Min; Haettig, Christof; Reine, Simen; Valeev, Edward; Kjrgaard, Thomas; Kristensen, KasperJOURNAL OF CHEMICAL PHYSICSINCITECPH100Jorgensen, Poul2016
Exploring Memory Hierarchy to Improve Scientific Data Read Performance10.1109/CLUSTER.2015.18Zhang, Wenzhao; Tang, Houjun; Zou, Xiaocheng; Harenberg, Steven; Liu, Qing; Klasky, Scott; Samatova, Nagiza F.2015 IEEE INTERNATIONAL CONFERENCE ON CLUSTER COMPUTING - CLUSTER 2015STAFFSTAFFSTAFF2015
Extending the Strided Communication Interface in OpenSHMEM10.1007/978-3-319-26428-8_1Namashivayam, Naveen; Khaldi, Dounia; Eachempati, Deepak; Chapman, BarbaraOPENSHMEM AND RELATED TECHNOLOGIES: EXPERIENCES, IMPLEMENTATIONS, AND TECHNOLOGIES, OPENSHMEM 2015DDCSC040Imam, Neena2015
Extraordinary heat during the 1930s US Dust Bowl and associated large-scale conditions10.1007/s00382-015-2590-5Donat, Markus G.; King, Andrew D.; Overpeck, Jonathan T.; Alexander, Lisa V.; Durre, Imke; Karoly, David J.CLIMATE DYNAMICSINCITECLI028Compo, Gil2016
FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation10.1016/j.cpc.2015.11.013Regnier, D.; Verriere, M.; Dubray, N.; Schunck, N.COMPUTER PHYSICS COMMUNICATIONSINCITENPH008Vary, James2016
FFLO order in ultra-cold atoms in three-dimensional optical lattices10.1088/0953-8984/27/22/225601Rosenberg, Peter; Chiesa, Simone; Zhang, ShiweiJOURNAL OF PHYSICS-CONDENSED MATTERINCITECHM048Zhang, Shiwei2015
FULLY COUPLED SIMULATION OF COSMIC REIONIZATION. I. NUMERICAL METHODS AND TESTS10.1088/0067-0049/216/1/16Norman, Michael L.; Reynolds, Daniel R.; So, Geoffrey C.; Harkness, Robert P.; Wise, John H.ASTROPHYSICAL JOURNAL SUPPLEMENT SERIESINCITEAST025, AST033Norman, Michael2015
Fast Fault Injection and Sensitivity Analysis for Collective Communications10.1109/CLUSTER.2015.31Feng, Kun; Venkata, Manjunath Gorentla; Li, Dong; Sun, Xian-He2015 IEEE INTERNATIONAL CONFERENCE ON CLUSTER COMPUTING - CLUSTER 2015STAFFSTAFFSTAFF2015
Fidelity of Precipitation Extremes in High Resolution Global Climate Simulations.10.1016/j.procs.2015.05.492Mahajan, Salil; Evans, Katherine J.; Branstetter, Marcia; Anantharaj, Valentine; Leifeld, Juliann K.INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE, ICCS 2015 COMPUTATIONAL SCIENCE AT THE GATES OF NATUREDDCLI049Hack, James2015
Fidelity-optimized quantum state estimation10.1088/1367-2630/17/9/093008Kalev, Amir; Hen, ItayNEW JOURNAL OF PHYSICSALCCPHY103Hen, Itay2015
Fission fragment charge and mass distributions in Pu-239(n, f) in the adiabatic nuclear energy density functional theory10.1103/PhysRevC.93.054611Regnier, D.; Dubray, N.; Schunck, N.; Verriere, M.PHYSICAL REVIEW CINCITENPH008Vary, James2016
Forecasting Directivity in Large Earthquakes in Terms of the Conditional Hypocenter DistributionDonovan, J.USC Digital LibraryINCITEGEO112Jordan, Thomas2015
Free Energy from Stationary Implementation of the DFT plus DMFT Functional10.1103/PhysRevLett.115.256402Haule, Kristjan; Birol, TuranPHYSICAL REVIEW LETTERSINCITEMAT131Kotliar, Gabriel2015
Fully self-consistent solution of the Dyson equation using a plane-wave basis set10.1103/PhysRevB.91.125135Wang, Lin-WangPHYSICAL REVIEW BINCITENTI009Wang, Lin-Wang2015
Functional mechanisms of neurotransmitter transporters regulated by lipid-protein interactions of their terminal loops10.1016/j.bbamem.2015.03.025Khelashvili, George; Weinstein, HarelBIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANESALCCBIP109Weinstein, Harel2015
Further Insights on the Influence of the Indian Ocean Dipole on the Following Year's ENSO from Observations and CMIP5 Models10.1175/JCLI-D-15-0481.1Jourdain, Nicolas C.; Lengaigne, Matthieu; Vialard, Jerome; Izumo, Takeshi; Sen Gupta, AlexanderJOURNAL OF CLIMATEINCITECLI028Compo, Gilbert2016
Future Directions of High-Fidelity CFD for Aero-Thermal Turbomachinery Research, Analysis and Design10.2514/6.2016-3322Laskowski, Gregory M.; Kopriva, Jim; Michelassi, Vittorio; Shankaran, Sriram; Paliath, Umesh; Bhaskaran, Rathakrishnan; Wang, Qiqi; Talnikar, Chaitanya; Wang, ZJ; Jia, Feilin46th AIAA Fluid Dynamics Conference2016
Future changes in regional precipitation simulated by a half-degree coupled climate model: Sensitivity to horizontal resolution10.1002/2015MS000584Shields, Christine A.; Kiehl, Jeffrey T.; Meehl, Gerald A.JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMSINCITECLI017Washington, Warren2016
GE Research Industrial Applications Journey to SupercomputingAuthur, R.; Yamada, M.Industrial Applications of High-Performance Computing: Best Global PracticesALCCMAT033Yamada, Masako2015
GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calculation of the Ground State and Statistical Physics of Materials10.1007/978-981-10-0457-5_24Eisenbach, Markus; Larkin, Jeff; Lutjens, Justin; Rennich, Steven; Rogers, James H.BIG DATA TECHNOLOGY AND APPLICATIONSINCITEMAT020Eisenbach, Markus2016
Gas Phase Uranyl Activation: Formation of a Uranium Nitrosyl Complex from Uranyl Azide10.1021/jacs.5b02420Gong, Yu; de Jong, Wibe A.; Gibson, John K.JOURNAL OF THE AMERICAN CHEMICAL SOCIETYINCITECHP101Dixon, David2015
Generation of subsurface voids and a nanocrystalline surface layer in femtosecond laser irradiation of a single-crystal Ag target10.1103/PhysRevB.91.035413Wu, Chengping; Christensen, Martin S.; Savolainen, Juha-Matti; Balling, Peter; Zhigilei, Leonid V.PHYSICAL REVIEW BDDMAT048Zhigilei, Leonid2015
Genetic algorithm based task reordering to improve the performance of batch scheduled massively parallel scientific applications10.1002/cpe.3457Sankaran, Ramanan; Angel, Jordan; Brown, W. MichaelCONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCESTAFFSTAFFSTAFF2015
Global temperature response to the major volcanic eruptions in multiple reanalysis data sets10.5194/acp-15-13507-2015Fujiwara, M.; Hibino, T.; Mehta, S. K.; Gray, L.; Mitchell, D.; Anstey, J.ATMOSPHERIC CHEMISTRY AND PHYSICSINCITECLI028Compo, Gilbert2015
Gradient-free MCMC methods for dynamic causal modelling10.1016/j.neuroimage.2015.03.008Sengupta, Biswa; Friston, Karl J.; Penny, Will D.NEUROIMAGEDDMED003Sengupta, Biswa2015
Graph 500 in OpenSHMEM10.1007/978-3-319-26428-8_10D'Azevedo, Eduardo F.; Imam, NeenaOPENSHMEM AND RELATED TECHNOLOGIES: EXPERIENCES, IMPLEMENTATIONS, AND TECHNOLOGIES, OPENSHMEM 2015DDCSC040Imam, Neena2015
Gravitational wave signatures of ab initio two-dimensional core collapse supernova explosion models for 12-25 M-circle dot stars10.1103/PhysRevD.92.084040Yakunin, Konstantin N.; Mezzacappa, Anthony; Marronetti, Pedro; Yoshida, Shin'ichirou; Bruenn, Stephen W.; Hix, W. Raphael; Lentz, Eric J.; Messer, O. E. Bronson; Harris, J. Austin; Endeve, Eirik; Blondin, John M.; Lingerfelt, Eric J.PHYSICAL REVIEW DINCITEAST005Lentz, Eric2015
Ground-state properties of strongly interacting Fermi gases in two dimensions10.1103/PhysRevA.92.033603Shi, Hao; Chiesa, Simone; Zhang, ShiweiPHYSICAL REVIEW ADD (and INCITE)CPH107 (and CHM048)Zhang, Shiwei2015
Gyrokinetic particle simulation of a field reversed configuration10.1063/1.4930289Fulton, D. P.; Lau, C. K.; Holod, I.; Lin, Z.; Dettrick, S.PHYSICS OF PLASMASALCCFUS041Lin, Zhihong2016
Gyrokinetic particle simulation of beta-induced Alfven-acoustic eigenmode10.1063/1.4947205Zhang, H. S.; Liu, Y. Q.; Lin, Z.; Zhang, W. L.PHYSICS OF PLASMASDirector's DiscretionaryFUS107Lin, Zhihong2016
Gyrokinetic particle simulation of fast-electron driven beta-induced Aflven eigenmode10.1063/1.4948487Cheng, Junyi; Zhang, Wenlu; Lin, Zhihong; Holod, Ihor; Li, Ding; Chen, Yang; Cao, JintaoPHYSICS OF PLASMAS2016
Gyrokinetic particle simulation of microturbulence for general magnetic geometry and experimental profiles10.1063/1.4908275Xiao, Yong; Holod, Ihor; Wang, Zhixuan; Lin, Zhihong; Zhang, TaigePHYSICS OF PLASMASALCCFUS041Lin, Zhihong2015
HACC: Simulating sky surveys on state-of-the-art supercomputing architectures10.1016/j.newast.2015.06.003Habib, Salman; Pope, Adrian; Finkel, Hal; Frontiere, Nicholas; Heitmann, Katrin; Daniel, David; Fasel, Patricia; Morozov, Vitali; Zagaris, George; Peterka, Tom; Vishwanath, Venkatram; Lukic, Zarija; Sehrish, Saba; Liao, Wei-kengNEW ASTRONOMYINCITEHEP100Habib, Salman2016
HIGH FIDELITY MODELING OF PELLET-CLAD INTERACTION USING THE CASL VIRTUAL ENVIRONMENT FOR REACTOR APPLICATIONSTurner, John A. (ORNL); Roger Pawlowski; Roger Montgomery; Brendan Kochunas; Derek GastonANS MC2015 - Joint International Conference on Mathematics and ComputationALCCNFI011, NFI012, NFI013Turner, John2015
HIGHLY RESOLVED LES OF A LINEAR HPT VANE CASCADE USING STRUCTURED AND UNSTRUCTURED CODESPichler, Richard; Kopriva, James; Laskowski, Gregory; Michelassi, Vittorio; Sandberg, RichardProceedings of ASME Turbo Expo 2016INCITETUR105Michelassi, Vittorio2016
Harnessing Structure-Property Relationships for Poly(alkyl thiophene)-Fullerene Derivative Thin Films to Optimize Performance in Photovoltaic Devices10.1002/adfm.201502653Deb, Nabankur; Li, Bohao; Skoda, Maximilian; Rogers, Sarah; Sun, Yan; Gong, Xiong; Karim, Alamgir; Sumpter, Bobby G.; Bucknall, David G.ADVANCED FUNCTIONAL MATERIALSDDNTI015Sumpter, Bobby2016
He-3(alpha, gamma)Be-7 and H-3(alpha, gamma)Li-7 astrophysical S factors from the no-core shell model with continuum10.1016/j.physletb.2016.04.021Dohet-Eraly, Jeremy; Navratil, Petr; Quaglioni, Sofia; Horiuchi, Wataru; Hupin, Guillaume; Raimondi, FrancescoPHYSICS LETTERS BINCITENPH008Vary, James2016
Hermite WENO limiting for multi-moment finite-volume methods using the ADER-DT time discretization for 1-D systems of conservation laws10.1016/, Matthew R.JOURNAL OF COMPUTATIONAL PHYSICSSTAFFSTAFFSTAFF2015
High Fidelity Simulations of a Non-Premixed Rotating Detonation Engine10.2514/6.2016-0125Cocks, P.A.T.; Holley, A.T.; Rankin, B.A.54th AIAA Aerospace Sciences Meeting, AIAA SciTechALCCCMB105Peter Cocks2016
High Resolution RANS Nonlinear Harmonic Study of Stage 67 Tip Injection Physics10.1115/1.4028550Grosvenor, Allan D.; Rixon, Gregory S.; Sailer, Logan M.; Matheson, Michael A.; Gutzwiller, David P.; Demeulenaere, Alain; Gontier, Mathieu; Strazisar, Anthony J.JOURNAL OF TURBOMACHINERY-TRANSACTIONS OF THE ASMEDDARD102Srinivasan, Ravichandra2015
High voltage testing for the MAJORANA DEMONSTRATOR10.1016/j.nima.2016.04.006Abgrall, N.; Arnquist, I. J.; Avignone, F. T.; Barabash, A. S.; Bertrand, F. E.; Bradley, A. W.; Brudanin, V.; Busch, M.; Buuck, M.; Byram, D.; Caldwell, A. S.; Chan, Y-D.; Christofferson, C. D.; Chu, P. -H.; Cuesta, C.; Detwiler, J. A.; Doe, P. J.; Dunagan, C.; Efremenko, Yu.; Ejiri, H.; Elliott, S. R.; Fu, Z.; Galindo-Uribarri, A.; Giovanetti, G. K.; Goett, J.; Green, M. P.; Gruszko, J.; Guinn, I. S.; Guiseppe, V. E.; Henning, R.; Hoppe, E. W.; Howard, S.; Howe, M. A.; Jasinski, B. R.; Keeter, K. J.; Kidd, M. F.; Konovalov, S. I.; Kouzes, R. T.; LaFerriere, B. D.; Leon, J.; Li, A.; MacMullin, J.; Martin, R. D.; Massarczyk, R.; Meijer, S. J.; Mertens, S.; Orrell, J. L.; O'Shaughnessy, C.; Poon, A. W. P.; Radford, D. C.; Rager, J.; Rielage, K.; Robertson, R. G. H.; Romero-Romero, E.; Shanks, B.; Shirchenko, M.; Snyder, N.; Suriano, A. M.; Tedeschi, D.; Thompson, A.; Ton, K. T.; Trimble, J. E.; Varner, R. L.; Vasilyev, S.; Vetter, K.; Vorren, K.; White, B. R.; Wilkerson, J. F.; Wiseman, C.; Xu, W.; Yakushev, E.; Yu, C. -H.; Yumatov, V.NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT2016
High-Performance Computing Framework for Predictive Simulation of Healthcare Delivery Innovations10.1109/BHI.2016.7455948PARK, BYUNG; OZMEN, OZGUR; WEIGAND, GILBERT; SHANKAR, MALLIKARJUNThe IEEE International Conference on Biomedical and Health Informaics (BHI)2016
High-performance conjugate-gradient benchmark: A new metric for ranking high-performance computing systems10.1177/1094342015593158Dongarra, Jack; Heroux, Michael A.; Luszczek, PiotrINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONSINCITECSC103Oliker, Leonid2016
Highly stable two-dimensional silicon phosphides: Different stoichiometries and exotic electronic properties10.1103/PhysRevB.91.121401Huang, Bing; Zhuang, Houlong L.; Yoon, Mina; Sumpter, Bobby G.; Wei, Su-HuaiPHYSICAL REVIEW BDDMAT101Sumpter, Bobby2015
Homogenization of time series from Portugal and its former colonies for the period from the late 19th to the early 21st century10.1002/joc.4151Bliznak, Vojtech; Valente, Maria Antonia; Bethke, JuliaINTERNATIONAL JOURNAL OF CLIMATOLOGYINCITECLI028Compo, Gilbert2015
Hot zero power reactor calculations using the Insilico code10.1016/, Steven P.; Evans, Thomas M.; Davidson, Gregory G.; Johnson, Seth R.; Pandya, Tara M.; Godfrey, Andrew T.JOURNAL OF COMPUTATIONAL PHYSICSALCCNFI011,12,13Turner, John2016
Hot-Carrier Degradation in GaN HEMTs Due to Substitutional Iron and Its Complexes10.1109/TED.2016.2532806Mukherjee, Shubhajit; Puzyrev, Yevgeniy; Chen, Jin; Fleetwood, Daniel M.; Schrimpf, Ronald D.; Pantelides, Sokrates T.IEEE TRANSACTIONS ON ELECTRON DEVICESDirector's DiscretionaryCPH106Puzyrev, Yevgeniy2016
How large are nonadiabatic effects in atomic and diatomic systems?10.1063/1.4931667Yang, Yubo; Kylanpaa, Ilkka; Tubman, Norm M.; Krogel, Jaron T.; Hammes-Schiffer, Sharon; Ceperley, David M.JOURNAL OF CHEMICAL PHYSICSINCITECPH103Ceperley, David2015
Human-induced greening of the northern extratropical land surface10.1038/nclimate3056Mao, Jiafu; Ribes, AurélienNATURE CLIMATE CHANGE2016
Hydrogen and methoxy coadsorption in the computation of the catalytic conversion of methanol on the ceria (111) surface10.1016/j.susc.2015.12.002Beste, Ariana; Overbury, Steven H.SURFACE SCIENCEDDCHM110Beste, Ariana2016
Hydrogen reverses the clustering tendency of carbon in amorphous silicon oxycarbide10.1038/srep13051Ding, Hepeng; Demkowicz, Michael J.SCIENTIFIC REPORTSDDMAT113Demkowicz, Michael2015
IMPACC: A Tightly Integrated MPI+OpenACC Framework Exploiting Shared Memory Parallelism10.1145/2907294.2907302KIM, JUNGWON; LEE, SEYONG; VETTER, JEFFREYACM International Symposium on High-Performance Parallel and Distributed Computing2016
Identification of new turbulence contributions to plasma transport and confinement in spherical tokamak regime10.1063/1.4933216Wang, W. X.; Ethier, S.; Ren, Y.; Kaye, S.; Chen, J.; Startsev, E.; Lu, Z.; Li, Z. Q.PHYSICS OF PLASMASINCITEFUS031Wang, Weixing2015
Identifying turbulent structures through topological segmentation10.2140/camcos.2016.11.37Bremer, P.T.; Gruber, A; Bennett, J.C.; Gyulassy, A; Kolla, H; Chen, J.H.Communications in Applied Mathematics and Computational Science (CAMCoS)INCITECMB103Chen, Jacqueline2016
Illuminating the Universe's IgnitionGedenk, EricCOMPUTING IN SCIENCE & ENGINEERING2016
Immersive Visual Analytics for Transformative Neutron Scattering ScienceSTEED, CHAD; DANIEL, JAMISON; Drouhard, Margaret; HAHN, STEVEN; PROFFEN, THOMASIEEE Immersive Analytics Workshop (VR 2016)2016
Immersive visualization for materials science data analysis using the Oculus Rift10.1109/BigData.2015.7364040Drouhard, Margaret ; Steed, Chad; Hahn, Steven; Proffen, Thomas; Daniel, Jamison; Matheson, Michael2015 IEEE International Conference on Big Data (Big Data)STAFFSTAFFSTAFF2015
Impact of Nuclear Mass Uncertainties on the r Process10.1103/PhysRevLett.116.121101Martin, D.; Arcones, A.; Nazarewicz, W.; Olsen, E.PHYSICAL REVIEW LETTERSINCITENPH008Vary, James2016
Impact of Short-Range Forces on Defect Production from High Energy Collisions10.1021/acs.jctc.5b01194Stoller, R. E.; Tamm, A.; Beland, L. K.; Samolyuk, G. D.; Stocks, G. M.; Caro, A.; Slipchenko, L. V.; Osetsky, Yu N.; Aabloo, A.; Klintenberg, M.; Wang, Y.JOURNAL OF CHEMICAL THEORY AND COMPUTATION2016
Impact of multi-component diffusion in turbulent combustion using direct numerical simulations10.1016/j.combustflame.2015.07.013Bruno, Claudio; Sankaran, Vaidyanathan; Kolla, Hemanth; Chen, Jacqueline H.COMBUSTION AND FLAMEINCITECMB103Chen, Jacqueline2015
Impact of numerics on the predictive capabilities of reacting flow LES10.1016/j.combustflame.2015.04.016Cocks, Peter A. T.; Soteriou, Marios C.; Sankaran, VaidyanathanCOMBUSTION AND FLAMEDDCMB101Sankaran, Vaidyanathan2015
Impact of solar panels on global climate10.1038/NCLIMATE2843Hu, Aixue; Levis, Samuel; Meehl, Gerald A.; Han, Weiqing; Washington, Warren M.; Oleson, Keith W.; van Ruijven, Bas J.; He, Mingqiong; Strand, Warren G.NATURE CLIMATE CHANGEINCITECLI017Washington, Warren2016
Implementation and Tuning of Batched Cholesky Factorization and Solve for NVIDIA GPUs10.1109/TPDS.2015.2481890Kurzak, Jakub; Anzt, Hartwig; Gates, Mark; Dongarra, JackIEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMSDDCSC150Kurzak, Jakub2016
Implementation, capabilities, and benchmarking of Shift, a massively parallel Monte Carlo radiation transport code10.1016/, Tara M.; Johnson, Seth R.; Evans, Thomas M.; Davidson, GregoryG.; Hamilton, Steven P.; Godfrey, Andrew T.JOURNAL OF COMPUTATIONAL PHYSICSALCCNFI102Davidson, Gregory2016
In Situ Data Infrastructure for Scientific Unit Testing Platform10.1016/j.procs.2016.05.344Yao, Zhuo; Jia, Yulu; Wang, Dali; Steed, Chad; Atchley, ScottProcedia Computer ScienceDD2016
Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism10.1063/1.4935490Li, Zhen; Bian, Xin; Li, Xiantao; Karniadakis, George EmJOURNAL OF CHEMICAL PHYSICSINCITEBIP118Karniadakis, George2015
Increasing water cycle extremes in California and in relation to ENSO cycle under global warming10.1038/ncomms9657Yoon, Jin-Ho; Wang, S-Y Simon; Gillies, Robert R.; Kravitz, Ben; Hipps, Lawrence; Rasch, Philip J.NATURE COMMUNICATIONSALCCCLI063Rasch, Philip2015
Induced Fission of Pu-240 within a Real-Time Microscopic Framework10.1103/PhysRevLett.116.122504Bulgac, Aurel; Magierski, Piotr; Roche, Kenneth J.; Stetcu, IonelPHYSICAL REVIEW LETTERSDDNPH105Bulgac, Aurel2016
Influence of aqueous ionic strength upon liquid:liquid interfacial structure and microsolvation10.1016/j.fluid.2015.07.013Ghadar, Yasaman; Christensen, Shauna L.; Clark, Aurora E.FLUID PHASE EQUILIBRIAINCITECHP101Dixon, David2016
Influence of solar forcing, climate variability and modes of low-frequency atmospheric variability on summer floods in Switzerland10.5194/hess-19-3807-2015Pena, J. C.; Schulte, L.; Badoux, A.; Barriendos, M.; Barrera-Escoda, A.HYDROLOGY AND EARTH SYSTEM SCIENCESINCITECLI028Compo, Gilbert2015
Influence of synoptic atmospheric conditions on movement of individual sea-ice floes in Fram Strait, late summer 201010.3189/2015AoG69A655King, Jennifer A.; Bigg, Grant R.; Hall, RichardANNALS OF GLACIOLOGYINCITECLI028Compo, Gilbert2015
Influence of the North Atlantic SST Variability on the Atmospheric Circulation during the Twentieth Century10.1175/JCLI-D-14-00424.1Gastineau, Guillaume; Frankignoul, ClaudeJOURNAL OF CLIMATEINCITECLI028Compo, Gilbert2015
Infrared extrapolations for atomic nuclei10.1088/0954-3899/42/3/034032Furnstahl, R. J.; Hagen, G.; Papenbrock, T.; Wendt, K. A.JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICSINCITENPH008Vary, James P.2015
Initialized decadal prediction for transition to positive phase of the Interdecadal Pacific Oscillation10.1038/ncomms11718Meehl, Gerald A.; Hu, Aixue; Teng, HaiyanNATURE COMMUNICATIONSINCITECLI017Washington, Warren2016
Insights obtained from modeling of organic photovoltaics: morphology, interfaces and coupling with charge transport10.1201/b18072-8KUMAR, RAJEEV; GOSWAMI, MONOJOY; CARRILLO, JAN-MICHAEL; SUMPTER, BOBBYOrganic Solar Cells: Materials, Devices, Interfaces, and ModelingES (Early Science)MAT054Brown, Michael2015
Integration of PanDA workload management system with Titan supercomputer at OLCF10.1088/1742-6596/664/9/092020De, K.; Klimentov, A.; Oleynik, D.; Panitkin, S.; Petrosyan, A.; Schovancova, J.; Vaniachine, A.; Wenaus, T.21ST INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR PHYSICS (CHEP2015), PARTS 1-9DDCSC108Panitkin, Sergey2015
Integration of Russian Tier-1 Grid Center with High Performance Computers at NRC-KI for LHC experiments and beyond HENP10.1088/1742-6596/664/9/092018Belyaev, A.; Berezhnaya, A.; Betev, L.; Buncic, P.; De, K.; Drizhuk, D.; Klimentov, A.; Lazin, Y.; Lyalin, I.; Mashinistov, R.; Novikov, A.; Oleynik, D.; Polyakov, A.; Poyda, A.; Ryabinkin, E.; Teslyuk, A.; Tkachenko, I.; Yasnopolskiy, L.21ST INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR PHYSICS (CHEP2015), PARTS 1-9DDCSC108Panitkin, Sergey2015
Interannual and interdecadal variations in typhoon tracks around Japan10.1002/joc.4156Grossman, Michael J.; Zaiki, Masumi; Nagata, RenaINTERNATIONAL JOURNAL OF CLIMATOLOGYINCITECLI028Compo, Gilbert2015
Interannual and intra-annual variability of rainfall in Haiti (1905-2005)10.1007/s00382-014-2326-yMoron, Vincent; Frelat, Romain; Jean-Jeune, Pierre Karly; Gaucherel, CedricCLIMATE DYNAMICSINCITECLI028Compo, Gilbert2015
Interlaced coarse-graining for the dynamic cluster approximation10.1103/PhysRevB.93.165144Staar, P.; Jiang, M.; Hahner, R.; Schulthess, T. C.; Maier, T. A.PHYSICAL REVIEW BINCITECPH102Maier, Thomas2016
Interplay between plasmon and single-particle excitations in a metal nanocluster10.1038/ncomms10107Ma, Jie; Wang, Zhi; Wang, Lin-WangNATURE COMMUNICATIONSINCITENTI009Wang, Lin-Wang2015
Interplay of waves and eddies in rotating stratified turbulence and the link with kinetic-potential energy partition10.1209/0295-5075/112/49001Marino, Raffaele; Rosenberg, Duane; Herbert, Corentin; Pouquet, AnnickEPLINCITEENP008Kurien, Susan2015
Investigating the impact of land-use land-cover change on Indian summer monsoon daily rainfall and temperature during 1951-2005 using a regional climate model10.5194/hess-20-1765-2016Halder, Subhadeep; Saha, Subodh K.; Dirmeyer, Paul A.; Chase, Thomas N.; Goswami, Bhupendra NathHYDROLOGY AND EARTH SYSTEM SCIENCESINCITECLI028Compo, Gilbert2016
Ion transport and softening in a polymerized ionic liquid10.1039/c4nr05491aKumar, Rajeev; Bocharova, Vera; Strelcov, Evgheni; Tselev, Alexander; Kravchenko, Ivan I.; Berdzinski, Stefan; Strehmel, Veronika; Ovchinnikova, Olga S.; Minutolo, Joseph A.; Sangoro, Joshua R.; Agapov, Alexander L.; Sokolov, Alexei P.; Kalinin, Sergei V.; Sumpter, Bobby G.NANOSCALEDD & STAFFMAT101 & STAFFSumpter, Bobby2015
Isospin effects in N approximate to Z nuclei in extended density functional theory10.1088/0031-8949/91/2/023013Satula, Wojciech; Nazarewicz, WitoldPHYSICA SCRIPTAINCITENPH008Vary, James2016
K-shell photoionization of O+ and O2+ ions: Experiment and theory10.1103/PhysRevA.92.023401Bizau, J. M.; Cubaynes, D.; Guilbaud, S.; Al Shorman, M. M.; Gharaibeh, M. F.; Ababneh, I. Q.; Blancard, C.; McLaughlin, B. M.PHYSICAL REVIEW AINCITECHM052Pindzola, Michael2015
LADS: Optimizing Data Transfers Using Layout-Aware Data SchedulingKim, Youngjae (ORNL); Atchley, Scott (ORNL); Vallee, Geoffroy R. (ORNL); Shipman, Galen M. (ORNL)PROCEEDINGS OF THE 13TH USENIX CONFERENCE ON FILE AND STORAGE TECHNOLOGIES (FAST 2015)STAFFSTAFFSTAFF2015
Large Colloids in Cholesteric Liquid Crystals10.1007/s10955-015-1411-xStratford, K.; Gray, A.; Lintuvuori, J. S.JOURNAL OF STATISTICAL PHYSICSINCITECSC102Smith, Lorna2015
Large Eddy Simulation of a Supercritical Fuel Jet in Cross Flow using GPU-Acceleration10.2514/6.2016-1939Gottiparthi, Kalyana; Sankaran, Ramanan; Oefelein, Joseph54th AIAA Aerospace Sciences MeetingALCCCMB108Oefelein, Joe2016
Large-Scale Compute-Intensive Analysis via a Combined In-situ and Co-scheduling Workflow Approach,10.1145/2807591.2807663Sewell, Chris; Heitmann, Katrin; Finkel, Hal; Zargaris, George; Parete-Koon , Suzanne T.; Fasel, Patricia; Pope, Adrian; Frontiere, Nicholas; Lo, Li-ta; Messer, Bronson; Habib, Salman; Ahrens, JamesSC15 Proceedings of the International Conference for High Performance Computing, Networking, Storage and AnalysisINCITEHEP100Habib, Salman2015
Lateral organization, bilayer asymmetry, and inter-leaflet coupling of biological membranes10.1016/j.chemphyslip.2015.07.012Nickels, Jonathan D.; Smith, Jeremy C.; Cheng, XiaolinCHEMISTRY AND PHYSICS OF LIPIDSALCCBIP107Smith, Jeremy2015
Lattice Quantum Chromodynamics with Overlap Fermions on GPUs10.1109/MCSE.2014.114Alexandru, A.COMPUTING IN SCIENCE AND ENGINEERINGALCCNPH102Liu, Keh-Fei2015
Life cycle of superfluid vortices and quantum turbulence in the unitary Fermi gas10.1103/PhysRevA.91.031602Wlazlowski, Gabriel; Bulgac, Aurel; Forbes, Michael McNeil; Roche, Kenneth J.PHYSICAL REVIEW AALCCNPH014Bulgac, Aurel2015
Lifetime measurements of C-17 excited states and three-body and continuum effects10.1103/PhysRevC.92.064314Smalley, D.; Iwasaki, H.; Navratil, P.; Roth, R.; Langhammer, J.; Bader, V. M.; Bazin, D.; Berryman, J. S.; Campbell, C. M.; Dohet-Eraly, J.; Fallon, P.; Gade, A.; Langer, C.; Lemasson, A.; Loelius, C.; Macchiavelli, A. O.; Morse, C.; Parker, J.; Quaglioni, S.; Recchia, F.; Stroberg, S. R.; Weisshaar, D.; Whitmore, K.; Wimmer, K.PHYSICAL REVIEW CINCITENPH008Vary, James P.2015
Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model10.1021/acs.jctc.5b00086Eriksen, Janus J.; Baudin, Pablo; Ettenhuber, Patrick; Kristensen, Kasper; Kjaergaard, Thomas; Jorgensen, PoulJOURNAL OF CHEMICAL THEORY AND COMPUTATIONINCITECHP100Jorgensen, Poul2015
Liquid li structure and dynamics: A comparison between OFDFT and second nearest-neighbor embedded-atom method10.1002/aic.14795Chen, Mohan; Vella, Joseph R.; Panagiotopoulos, Athanassios Z.; Debenedetti, Pablo G.; Stillinger, Frank H.; Carter, Emily A.AICHE JOURNALINCITENTI009Wang, Lin-Wang2015
LoFEx - A local framework for calculating excitation energies: Illustrations using RI-CC2 linear response theory10.1063/1.4953360Baudin, Pablo; Kristensen, KasperJOURNAL OF CHEMICAL PHYSICSINCITECHP100Jørgensen, Poul2016
Local Electronic Effects and Irradiation Resistance in High-Entropy Alloys10.1007/s11837-015-1579-1Egami, T.; Ojha, M.; Khorgolkhuu, O.; Nicholson, D. M.; Stocks, G. M.JOMINCITEMAT020Eisenbach, Markus2015
Local Recovery and Failure Masking for Stencil-based Applications at Extreme Scales10.1145/2807591.2807672Gamell, M; Teranishi, K; Heroux, M; Mayo, J; Kolla, H; Chen, J.H.; Parashar, MSC '15 Proceedings of the International Conference for High Performance Computing, Networking, Storage and AnalysisINCITECMB103Chen, Jacqueline2015
Long-term changes in the seasonality of Baltic sea level10.3402/tellusa.v68.30540Barbosa, Susana M.; Donner, Reik V.TELLUS SERIES A-DYNAMIC METEOROLOGY AND OCEANOGRAPHYINCITECLI028Compo, Gilbert2016
Longitudinal hydrodynamics from event-by-event Landau initial conditions10.1103/PhysRevC.91.024901Sen, Abhisek; Gerhard, Jochen; Torrieri, Giorgio; Read, Kenneth; Wong, Cheuk-YinPHYSICAL REVIEW CDDNPH015Read, Kenneth2015
Low-loss electron energy loss spectroscopy: An atomic-resolution complement to optical spectroscopies and application to graphene10.1103/PhysRevB.92.125147Kapetanakis, Myron D.; Zhou, Wu; Oxley, Mark P.; Lee, Jaekwang; Prange, Micah P.; Pennycook, Stephen J.; Idrobo, Juan Carlos; Pantelides, Sokrates T.PHYSICAL REVIEW BDDCPH017Oxley, Mark2015
Magnetic Materials at finite Temperatures: thermodynamics and combined spin and molecular dynamics derived from first principles calculations10.1088/1742-6596/640/1/012019Eisenbach, Markus; Perera, Dilina; Landau, David P.; Nicholson, Don M.; Yin, Jungqi; Browns, GregoryXXVI IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (CCP2014)INCITEMAT020Eisenbach, Markus2015
Magnetic and magnetocaloric properties of iron substituted holmium chromite and dysprosium chromite10.1039/c5ra24323hYin, Shiqi; Sharma, Vinit; McDannald, Austin; Reboredo, Fernando A.; Jain, MenkaRSC ADVANCESINCITECPH103Ceperley, David2016
Magnetic structure of light nuclei from lattice QCD10.1103/PhysRevD.92.114502Chang, Emmanuel; Detmold, William; Orginos, Kostas; Parreno, Assumpta; Savage, Martin J.; Tiburzi, Brian C.; Beane, Silas R.PHYSICAL REVIEW DALCCNPH104Savage, Martin2015
Many-Core Acceleration of a Discrete Ordinates Transport Mini-App at Extreme Scale10.1007/978-3-319-41321-1_22Deakin, Tom; Macintosh-Smith, Simon; Gaudin, WayneHigh Performance Computing2016
Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO10.1063/1.4934262Mitra, Chandrima; Krogel, Jaron T.; Santana, Juan A.; Reboredo, Fernando A.JOURNAL OF CHEMICAL PHYSICSINCITECPH103Ceperley, David2015
Mechanical Properties of Nanoscopic Lipid Domains10.1021/jacs.5b08894Nickels, Jonathan D.; Cheng, Xiaolin; Mostofian, Barmak; Stanley, Christopher; Lindner, Benjamin; Heberle, Frederick A.; Perticaroli, Stefania; Feirgenson, Mikhail; Egami, Takeshi; Standaert, Robert F.; Smith, Jeremy C.; Myles, Dean A. A.; Ohl, Michael; Katsaras, JohnJOURNAL OF THE AMERICAN CHEMICAL SOCIETYDDBIP121Cheng, Xiaolin2015
Mechanism of lignin inhibition of enzymatic biomass deconstruction10.1186/s13068-015-0379-8Vermaas, Josh V.; Petridis, Loukas; Qi, Xianghong; Schulz, Roland; Lindner, Benjamin; Smith, Jeremy. C.BIOTECHNOLOGY FOR BIOFUELSINCITEBIP002Smith, Jeremy2015
Mechanism of the Association between Na+ Binding and Conformations at the Intracellular Gate in Neurotransmitter: Sodium Symporters10.1074/jbc.M114.625343Stolzenberg, Sebastian; Quick, Matthias; Zhao, Chunfeng; Gotfryd, Kamil; Khelashvili, George; Gether, Ulrik; Loland, Claus J.; Javitch, Jonathan A.; Noskov, Sergei; Weinstein, Harel; Shi, LeiJOURNAL OF BIOLOGICAL CHEMISTRYALCCBIP109Weinstein, Harel2015
Mechanisms of Local Stress Sensing in Multifunctional Polymer Films Using Fluorescent Tetrapod Nanocrystals10.1021/acs.nanolett.6b01907Raja, Shilpa N.; Zherebetskyy, Danylo; Wu, Siva; Ercius, Peter; Powers, Alexander; Olson, Andrew C. K.; Du, Daniel X.; Lin, Liwei; Govindjee, Sanjay; Wang, Lin-Wang; Xu, Ting; Alivisatos, A. Paul; Ritchie, Robert O.NANO LETTERS2016
Mechanisms of NH3 and NO2 detection in carbon-nanotube-based sensors: An ab initio investigation10.1016/j.carbon.2016.01.092Li, Yan; Hodak, Miroslav; Lu, Wenchang; Bernholc, J.CARBONDDNTI015Sumpter, Bobby2016
Mechanisms of convective cloud organization by cold pools over tropical warm ocean during the AMIE/DYNAMO field campaign10.1002/2014MS000384Feng, Zhe; Hagos, Samson; Rowe, Angela K.; Burleyson, Casey D.; Martini, Matus N.; de Szoeke, Simon P.JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMSDDCSC025Straatsma, Tjerk2015
Memory Scalability and Efficiency Analysis of Parallel CodesJanjusic, T. KartsaklisPROCEEDINGS OF THE CRAY USER GROUPSTAFFSTAFFSTAFF2015
Memory-Efficient Simulation of Frequency-Dependent Q10.1785/0120150020Withers, Kyle B.; Olsen, Kim B.; Day, Steven M.BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICAINCITEGEO112Jordan, Thomas2015
Mesh generation for confined fusion plasma simulation10.1007/s00366-015-0417-yZhang, Fan; Hager, Robert; Ku, Seung-Hoe; Chang, Choong-Seock; Jardin, Stephen C.; Ferraro, Nathaniel M.; Seol, E. Seegyoung; Yoon, Eisung; Shephard, Mark S.ENGINEERING WITH COMPUTERSINCITEENV003Chang, C.S.2016
Mesh-free data transfer algorithms for partitioned multiphysics problems: Conservation, accuracy, and parallelism10.1016/, Stuart R.JOURNAL OF COMPUTATIONAL PHYSICSINCITENIF011/12/13Turner, John2016
Method to integrate full particle orbit in toroidal plasmas10.1063/1.4929799Wei, X. S.; Xiao, Y.; Kuley, A.; Lin, Z.PHYSICS OF PLASMASALCCFUS041Lin, Zhihong2015
Microphase separation in thin films of lamellar forming polydisperse di-block copolymers10.1039/c5ra00974jKumar, Rajeev; Lokitz, Bradley S.; Sides, Scott W.; Chen, Jihua; Heller, William T.; Ankner, John F.; Browning, James F.; Kilbey, S. Michael; Sumpter, Bobby G.RSC ADVANCESDDMAT101Sumpter, Bobby2015
Microscopic modeling of mass and charge distributions in the spontaneous fission of Pu-24010.1103/PhysRevC.93.011304Sadhukhan, Jhilam; Nazarewicz, Witold; Schunck, NicolasPHYSICAL REVIEW CINCITENPH008Vary, James2016
Microturbulence in DIII-D tokamak pedestal. II. Electromagnetic instabilities10.1088/0029-5515/55/9/093020Holod, I.; Fulton, D.; Lin, Z.NUCLEAR FUSIONALCCFUS041Lin, Zhihong2015
Modeling of mean flame shape during premixed flame flashback in turbulent boundary layers10.1016/j.proci.2014.06.073Gruber, A.; Kerstein, A. R.; Valiev, D.; Law, C. K.; Kolla, H.; Chen, J. H.PROCEEDINGS OF THE COMBUSTION INSTITUTEINCITECMB103Chen, Jacqueline2015
Modelling economic losses of historic and present-day high-impact winter windstorms in Switzerland10.3402/tellusa.v68.29546Welker, Christoph; Martius, Olivia; Stucki, Peter; Bresch, David; Dierer, Silke; Bronnimann, StefanTELLUS SERIES A-DYNAMIC METEOROLOGY AND OCEANOGRAPHYINCITECLI017Compo, Gilbert2016
Modelling of edge localised modes and edge localised mode control10.1063/1.4905231Huijsmans, G. T. A.; Chang, C. S.; Ferraro, N.; Sugiyama, L.; Waelbroeck, F.; Xu, X. Q.; Loarte, A.; Futatani, S.PHYSICS OF PLASMASINCITEENV003Chang, C.S.2015
Modelling twentieth century global ocean circulation and iceberg flux at 48 degrees N: implications for west Greenland iceberg discharge10.1016/j.pocean.2015.07.003Wilton, David J.; Bigg, Grant R.; Hanna, EdwardPROGRESS IN OCEANOGRAPHYINCITECLI028Compo, Gilbert2015
Molecular Driving Forces behind the Tetrahydrofuran-Water Miscibility Gap10.1021/acs.jpcb.5b09770Smith, Micholas Dean; Mostofian, Barmak; Petridis, Loukas; Cheng, Xiaolin; Smith, Jeremy C.JOURNAL OF PHYSICAL CHEMISTRY BINCITEBIP107Smith, Jeremy C.2016
Molecular Lifting, Twisting, and Curling during Metal-Assisted Polycyclic Hydrocarbon Dehydrogenation10.1021/jacs.5b12504Curcio, Davide; Omiciuolo, Luca; Pozzo, Monica; Lacovig, Paolo; Lizzit, Silvano; Jabeen, Naila; Petaccia, Luca; Alfe, Dario; Baraldi, AlessandroJOURNAL OF THE AMERICAN CHEMICAL SOCIETYINCITECPH005Alfè, Dario2016
Molecular Oxygen Induced in-Gap States in PbS Quantum Dots10.1021/acsnano.5b04677Zhang, Yingjie; Zherebetskyy, Danylo; Bronstein, Noah D.; Barja, Sara; Lichtenstein, Leonid; Alivisatos, A. Paul; Wang, Lin-Wang; Salmeron, MiguelACS NANOINCITENTI009Wang, Lin-Wang2015
Molecular and Dissociative Adsorption of Water on (TiO2)(n) Clusters, n=1-410.1021/acs.jpca.5b07697Chen, Mingang; Straatsma, Tjerk P.; Dixon, David A.JOURNAL OF PHYSICAL CHEMISTRY AINCITECHP101Dixon, David2015
Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes10.1063/1.4937153MacDermaid, Christopher M.; Kashyap, Hemant K.; DeVane, Russell H.; Shinoda, Wataru; Klauda, Jeffery B.; Klein, Michael L.; Fiorin, GiacomoJOURNAL OF CHEMICAL PHYSICSINCITEBIP116, CHM045Klein, Michael2015
Molecular dynamics simulations of large macromolecular complexes10.1016/, Juan R.; Goh, Boon Chong; Cassidy, C. Keith; Liu, Bo; Bernardi, Rafael C.; Rudack, Till; Yu, Hang; Wu, Zhe; Schulten, KlausCURRENT OPINION IN STRUCTURAL BIOLOGYINCITEBIO024Schulten, Klaus2015
Molecular models of site-isolated cobalt, rhodium, and iridium catalysts supported on zeolites: Ligand bond dissociation energies10.1016/j.comptc.2015.09.004Chen, Mingyang; Serna, Pedro; Lu, Jing; Gates, Bruce C.; Dixon, David A.COMPUTATIONAL AND THEORETICAL CHEMISTRYINCITECHP101Dixon, David2015
Molecular-Atomic Transition along the Deuterium Hugoniot Curve with Coupled Electron-Ion Monte Carlo Simulations10.1103/PhysRevLett.115.045301Tubman, Norm M.; Liberatore, Elisa; Pierleoni, Carlo; Holzmann, Markus; Ceperley, David M.PHYSICAL REVIEW LETTERSINCITECPH103Ceperley, David2015
Monitoring and Analyzing Job Performance Using Resource Utilization Reporting (RUR) on A Cray XE6/XK6 SystemSu, Shi-Quan; Baer, Troy; Rogers, Gary; McNally, Stephen; Whitten, Robert; Crosby, LonnieCray User Group 2015STAFFSTAFFSTAFF2016
Mononuclear Iridium Dinitrogen Complexes Bonded to Zeolite HY10.1002/chem.201404794Yang, Dong; Chen, Mingyang; Martinez-Macias, Claudia; Dixon, David A.; Gates, Bruce C.CHEMISTRY-A EUROPEAN JOURNALINCITECHP101Dixon, David2015
Multi-Conformer Ensemble Docking to Difficult Protein Targets10.1021/jp506511pEllingson, Sally R.; Miao, Yinglong; Baudry, Jerome; Smith, Jeremy C.JOURNAL OF PHYSICAL CHEMISTRY BDDBIP105Baudry, Jerome2015
Multi-scale structures of turbulent magnetic reconnection10.1063/1.4951025Nakamura, T. K. M.; Nakamura, R.; Narita, Y.; Baumjohann, W.; Daughton, W.PHYSICS OF PLASMASINCITEFUS034Bill Daughton2016
Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree-Fock and density functional theory via linear response10.1039/c4cp05821fYanai, Takeshi; Fann, George I.; Beylkin, Gregory; Harrison, Robert J.PHYSICAL CHEMISTRY CHEMICAL PHYSICSINCITENPH008Vary, James P.2015
Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers10.1016/, Yu-Hang; Kudo, Shuhei; Bian, Xin; Li, Zhen; Karniadakis, George EmJOURNAL OF COMPUTATIONAL PHYSICSDDBIP102Karniadakis, George2015
Multiscale modeling of porous medium systems10.1201/b18614-3Dye, A.L.; McClure, J.E.; Gray, W.G.; Miller, C.T.Handbook of Porous Media, Third EditionINCITEGEO106McClure, James2015
Myopathy-inducing mutation H40Y in ACTA1 hampers actin filament structure and function10.1016/j.bbadis.2016.04.013Chan, Chun; Fan, Jun; Messer, Andrew E.; Marston, Steve B.; Iwamoto, Hiroyuki; Ochala, JulienBIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASEDDBIP126Fan, Jun2016
Nanocrystalline and Polyicosahedral Structure of a Nanospike Generated on Metal Surface Irradiated by a Single Femtosecond Laser Pulse10.1021/acs.jpcc.6b00013Wu, Chengping; Zhigilei, Leonid V.JOURNAL OF PHYSICAL CHEMISTRY CDDMAT048Zhigilei, Leonid2016
Nanoscale Charge Localization Induced by Random Orientations of Organic Molecules in Hybrid Perovskite CH3NH3PbI310.1021/nl503494yMa, Jie; Wang, Lin-WangNANO LETTERSINCITENTI009Wang, Lin-Wang2015
Nascent peptide assists the ribosome in recognizing chemically distinct small molecules10.1038/NCHEMBIO.1998Gupta, Pulkit; Liu, Bo; Klepacki, Dorota; Gupta, Vrinda; Schulten, Klaus; Mankinl, Alexander S.; Vazquez-Laslop, NoraNATURE CHEMICAL BIOLOGYINCITEBIO024Schulten, Klaus2016
Need for Caution in Interpreting Extreme Weather Statistics10.1175/JCLI-D-15-0020.1Sardeshmukh, Prashant D.; Compo, Gilbert P.; Penland, CecileJOURNAL OF CLIMATEINCITECLI028Compo, Gilbert2015
Nek5000 with OpenACC10.1007/978-3-319-15976-8_4Gong, Jing; Markidis, Stefano; Schliephake, Michael; Laure, Erwin; Henningson, Dan; Schlatter, Philipp; Peplinski, Adam; Hart, Alistair; Doleschal, Jens; Henty, David; Fischer, PaulSOLVING SOFTWARE CHALLENGES FOR EXASCALEINCITECSC102Smith, Lorna2015
NekBone with Optimized OpenACC directivesGong, Jing; Markidis, Stefano; Schliephake, Michael; Laure, ErwinSecond NESUS WorkshopDDCSC195Jing Gong2015
Neutron and weak-charge distributions of the Ca-48 nucleus10.1038/NPHYS3529Hagen, G.; Ekstroem, A.; Forssen, C.; Jansen, G. R.; Nazarewicz, W.; Papenbrock, T.; Wendt, K. A.; Bacca, S.; Barnea, N.; Carlsson, B.; Drischler, C.; Hebeler, K.; Hjorth-Jensen, M.; Miorelli, M.; Orlandini, G.; Schwenk, A.; Simonis, J.NATURE PHYSICSINCITENPH008Vary, James2016
Next Generation Workload Management System For Big Data on Heterogeneous Distributed Computing10.1088/1742-6596/608/1/012040Klimentov, A.; Buncic, P.; De, K.; Jha, S.; Maeno, T.; Mount, R.; Nilsson, P.; Oleynik, D.; Panitkin, S.; Petrosyan, A.; Porter, R. J.; Read, K. F.; Vaniachine, A.; Wells, J. C.; Wenaus, T.16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014)DDCSC108Panitkin, Sergey2015
Non-Equilibrium Dynamics of Vesicles and Micelles by Self-Assembly of Block Copolymers with Double Thermoresponsivity10.1021/acs.macromol.6b00365Tang, Yu-Hang; Li, Zhen; Li, Xuejin; Deng, Mingge; Karniadakis, George EmMACROMOLECULESDD,INCITEBIP102, BIP118Karniadakis Em, George2016
Nonlinear electromagnetic formulation for particle-in-cell simulation of lower hybrid waves in toroidal geometry10.1063/1.4952773Bao, J.; Lin, Z.; Kuley, A.; Wang, Z. X.PHYSICS OF PLASMAS2016
Numerical Benchmark for High-Reynolds-Number Supercritical Flows with Large Density Gradients10.2514/1.J053931Ruiz, A. M.; Lacaze, G.; Oefelein, J. C.; Mari, R.; Cuenot, B.; Selle, L.; Poinsot, T.AIAA JOURNAL2016
Numerical and experimental investigation of turbulent DME jet flames10.1016/j.proci.2014.05.147Bhagatwala, Ankit; Luo, Zhaoyu; Shen, Han; Sutton, Jeffrey A.; Lu, Tianfeng; Chen, Jacqueline H.PROCEEDINGS OF THE COMBUSTION INSTITUTEEarly Science (Titan) & INCITECMB031, CMB103Chen, Jacqueline2015
Numerical investigation of spontaneous flame propagation under RCCI conditions10.1016/j.combustflame.2015.06.005Bhagatwala, Ankit; Sankaran, Ramanan; Kokjohn, Sage; Chen, Jacqueline H.COMBUSTION AND FLAMEINCITECMB103Chen, Jacqueline2015
Numerical investigation of the role of free-stream turbulence in boundary-layer separation10.1017/jfm.2016.424Balzer, Wolfgang; Fasel, H. F.JOURNAL OF FLUID MECHANICS2016
Numerical simulation of under-ventilated liquid-fueled compartment fires with flame extinction and thermally-driven fuel evaporation10.1016/j.proci.2014.05.072Vilfayeau, S.; Ren, N.; Wang, Y.; Trouve, A.PROCEEDINGS OF THE COMBUSTION INSTITUTEDDCMB027Wang, Yi2015
On the Abruptness of Bolling-Allerod Warming10.1175/JCLI-D-15-0675.1Su, Zhan; Ingersoll, Andrew P.; He, FengJOURNAL OF CLIMATE2016
On the dynamics and kinematics of two-fluid-phase flow in porous media10.1002/2015WR016921Gray, W. G.; Dye, A. L.; McClure, J. E.; Pyrak-Nolte, L. J.; Miller, C. T.WATER RESOURCES RESEARCHINCITEGEO106McClure, James2015
One-dimensional nanoclustering of the Cu(100) surface under CO gas in the mbar pressure range10.1016/j.susc.2016.04.016Eren, Baran; Zherebetskyy, Danylo; Hao, Yibo; Patera, Laerte L.; Wang, Lin-Wang; Somorjai, Gabor A.; Salmeron, MiquelSURFACE SCIENCEINCITENTI009Wang, Lin-Wang2016
Open sd-shell nuclei from first principles10.1103/PhysRevC.94.011301Jansen, G. R.; Schuster, M. D.; Signoracci, A.; Hagen, G.; Navratil, P.PHYSICAL REVIEW CINCITENPH008Greg Laskowski2016
OpenACC acceleration of the Nek5000 spectral element code10.1177/1094342015576846Markidis, Stefano; Gong, Jing; Schliephake, Michael; Laure, Erwin; Hart, Alistair; Henty, David; Heisey, Katherine; Fischer, PaulINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONSINCITECSC102Smith, Lorna2015
Optimization and large scale computation of an entropy-based moment closure10.1016/, C. Kristopher; Hauck, Cory; Hill, JudithJOURNAL OF COMPUTATIONAL PHYSICSDDPHY011Hauck, Cory2015
Optimization and parallelization of the thermal-hydraulic subchannel code CTF for high-fidelity multi-physics applications10.1016/j.anucene.2014.11.005Salko, Robert K.; Schmidt, Rodney C.; Avramova, Maria N.ANNALS OF NUCLEAR ENERGYALCCNFI011Turner, John2015
Optimizing deep learning hyper-parameters through an evolutionary algorithm10.1145/2834892.2834896Young, Steven; Rose, Derek; Karnowski, Thomas; Lim, Seung-Hwan; Patton, RobertMLHPC '15 Proceedings of the Workshop on Machine Learning in High-Performance Computing EnvironmentsDDCSC160Patton, Robert2015
Optimizing legacy molecular dynamics software with directive-based offload10.1016/j.cpc.2015.05.004Brown, W. Michael; Carrillo, Jan-Michael Y.; Gavhane, Nitin; Thakkar, Foram M.; Plimpton, Steven J.COMPUTER PHYSICS COMMUNICATIONSESMAT054Hill, Judith2015
Orbital Selective Spin Excitations and their Impact on Superconductivity of LiFe1-xCoxAs10.1103/PhysRevLett.116.247001Li, Yu; Yin, Zhiping; Wang, Xiancheng; Tam, David W.; Abernathy, D. L.; Podlesnyak, A.; Zhang, Chenglin; Wang, Meng; Xing, Lingyi; Jin, Changqing; Haule, Kristjan; Kotliar, Gabriel; Maier, Thomas A.; Dai, PengchengPHYSICAL REVIEW LETTERSMAT1331Kotliar, Gabriel2016
Orbital spaces in the divide-expand-consolidate coupled cluster method10.1063/1.4947019Ettenhuber, Patrick; Baudin, Pablo; Kjrgaard, Thomas; Jorgensen, Poul; Kristensen, KasperJOURNAL OF CHEMICAL PHYSICSINCITECPH100Jorgensen, Poul2016
Orbitally driven giant phonon anharmonicity in SnSe10.1038/NPHYS3492Li, C. W.; Hong, J.; May, A. F.; Bansal, D.; Chi, S.; Hong, T.; Ehlers, G.; Delaire, O.NATURE PHYSICSDDMAT049Park, Byung Hoon2015
Origins and implications of the ordering of oxygen vacancies and localized electrons on partially reduced CeO2(111)10.1103/PhysRevB.92.144105Sutton, Jonathan E.; Beste, Ariana; Overbury, Steven H.PHYSICAL REVIEW BDDCHM110Beste, Ariana2015
Outcomes from the DOE Workshop on Turbulent Flow Simulation at the ExascaleSprague, Michael A.; Boldyrev, Stanisalv; Chang, Choong-seock; Grout, Ray; Gustafson Jr., William I.; Hittinger, Jeffrey A.F.; Merzari, Elia; Moser, Robert; ,Turbulent Flow Simulation at the Exas- cale: Opportunities and Challenges Workshop,ALCCENV003Chang, CS2016
PAMOP Project: Petaflop Computations in Support of Experiments10.1007/978-3-319-24633-8_4McLaughlin, B.M.; Ballance, C.P.; Pindzola, M.S.; Schippers, S.; Muller, A.SpringerINCITE, DDCHM052, MPH102Pindzola, Michael2016
PDACS: A Portal for Data Analysis Services for Cosmological SimulationsMadduri, Ravi; Rodriguez, Alex; Uram, Thomas; Heitmann, Katrin; Malik, Tanu; Sehrish, Saba; Chard, Ryan; Cholia, Shreyas; Paterno, Marc; Kowalkowski, Jim; Habib, SalmanCOMPUTING IN SCIENCE & ENGINEERINGINCITEHEP100Habib, Salman2015
Pairing Nambu-Goldstone Modes within Nuclear Density Functional Theory10.1103/PhysRevLett.116.152502Hinohara, Nobuo; Nazarewicz, WitoldPHYSICAL REVIEW LETTERSINCITENPH008Vary, James2016
Pairing in a dry Fermi sea10.1038/ncomms11875Maier, T. A.; Staar, P.; Mishra, V.; Chatterjee, U.; Campuzano, J. C.; Scalapino, D. J.NATURE COMMUNICATIONSINCITECPH102Maier, Thomas2016
Parallel Programming Models and Systems for High Performance Computingdoi:10.4018/978-1-4666-8213-9.ch008GORENTLA VENKATA, MANJUNATH; POOLE, STEPHENEmerging Research in Cloud Distributed Computing SystemsSTAFFSTAFFSTAFF2015
Parallelizing the Smith-Waterman Algorithm Using OpenSHMEM and MPI-3 One-Sided Interfaces10.1007/978-3-319-26428-8_12Baker, Matthew; Welch, Aaron; Venkata, Manjunath GorentlaOPENSHMEM AND RELATED TECHNOLOGIES: EXPERIENCES, IMPLEMENTATIONS, AND TECHNOLOGIES, OPENSHMEM 2015DDCSC040Imam, Neena2015
Performance Analysis of a High-Level Abstractions-Based Hydrocode on Future Computing Systems10.1007/978-3-319-17248-4_5Mudalige, G. R.; Reguly, I. Z.; Giles, M. B.; Mallinson, A. C.; Gaudin, W. P.; Herdman, J. A.HIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING, AND SIMULATIONINCITECSC103Oliker, Leonid2015
Performance analysis of the high-performance conjugate gradient benchmark on GPUs10.1177/1094342015599239Phillips, Everett; Fatica, MassimilianoINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONSDDCSC122Zeller, Cyril2016
Performance characterization of irregular I/O at the extreme scale10.1016/j.parco.2015.10.009Herbein, S.; McDaniel, S.; Podhorszki, N.; Logan, J.; Klasky, S.; Taufer, M.PARALLEL COMPUTINGDDCSC143Klasky, Scott2016
Persistent Data Staging Services for Data Intensive In-situ Scientific Workflows10.1145/2912152.2912157Romanus, Melissa ; Zhang, Fan; Jin, Tong; Sun, Qian; Bui, Huang; Parashar, Manish; Choi, Jong ; Janhunen, Saloman; Hager, Robert; Klasky, Scott; Chang, Choong-Seock; Rodero, IvanProceedings of the ACM International Workshop on Data-Intensive Distributed Computing (DIDC '16)INCITEENV003Chang, CS2016
Perspective: How good is DFT for water?10.1063/1.4944633Gillan, Michael J.; Alfe, Dario; Michaelides, AngelosJOURNAL OF CHEMICAL PHYSICSDirector's DiscretionaryCPH005Alfe, Dario2016
Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms10.1021/acs.jctc.6b00326Chen, Mohan; Jiang, Xiang-Wei; Zhuang, Houlong; Wang, Lin-Wang; Carter, Emily A.JOURNAL OF CHEMICAL THEORY AND COMPUTATIONINCITE/DDNTI009Wang, Lin-Wang2016
Petascale Simulations of the Morphology and the Molecular Interface of Bulk Heterojunctions10.1021/acsnano.6b03009Carrillo, Jan-Michael Y.; Seibers, Zach; Kumar, Rajeev; Matheson, Michael A.; Ankner, John R.; Goswami, Monojoy; Bhaskaran-Nair, Kiran; Shelton, William A.; Sumpter, Bobby G.; Kilbey, S. MichaelACS NanoESMAT054Jean-Michael Carrillo2016
Petascale simulations of microfluidics at cell resolution: towards the in-silico lab-on-a-chip10.1145/2807591.2807677Rossinelli, Diego; Tang, Yu-Hang; Lykov, Kirill; Alexeev, Dmitry; Bernaschi, Massimo; Hadjidoukas, Panagiotis; Bisson, Mauro; Conti, Christian; Wayne, Joubert; Fatica, Massimiliano; Pivkin, Igot; Karniadakis, George; Koumoutsakos, PetrosSC15 Proceedings of the International Conference for High Performance Computing, Networking, Storage and AnalysisINCITEBIP118Karniadakis, George2015
Petascale solvers for anisotropic PDEs in atmospheric modelling on GPU clusters10.1016/j.parco.2015.10.007Mueller, Eike Hermann; Scheichl, Robert; Vainikko, EeroPARALLEL COMPUTINGDDCSC113Muite, Benson2015
Phase diagram of the Z(3) parafermionic chain with chiral interactions10.1103/PhysRevB.92.035154Zhuang, Ye; Changlani, Hitesh J.; Tubman, Norm M.; Hughes, Taylor L.PHYSICAL REVIEW BINCITEMAT044Kent, Paul2015
Phonon anharmonicity and negative thermal expansion in SnSe10.1103/PhysRevB.94.054307Bansal, Dipanshu; Hong, Jiawang; Li, Chen W.; May, Andrew F.; Porter, Wallace; Hu, Michael Y.; Abernathy, Douglas L.; Delaire, OlivierPHYSICAL REVIEW B2016
Photoionization of the 3s(2)3p(4) P-3 and the 3s(2)3p(4) D-1, S-1 states of sulfur: Experiment and theory10.1103/PhysRevA.91.013406Barthel, Mathias; Flesch, Roman; Ruehl, Eckart; McLaughlin, Brendan M.PHYSICAL REVIEW AINCITECHM052Pindzola, Michael2015
Photoionization of the valence shells of the neutral tungsten atom10.1088/0953-4075/48/8/085201Ballance, C. P.; McLaughlin, B. M.JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICSINCITECHM052Pindzola, Michael2015
Photoionization of tungsten ions: experiment and theory for W2+ and W3+10.1088/0953-4075/49/6/065201McLaughlin, B. M.; Ballance, C. P.; Schippers, S.; Hellhund, J.; Kilcoyne, A. L. D.; Phaneuf, R. A.; Mueller, A.JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICSDDMPH102Pindzola, Michael2016
Physical Mechanisms of DDT in an Array of PBX 9501 Cylinders Initiation Mechanisms of DDTBeckvermit, Jacqueline; Harman, Todd; Wight, Charles; Berzins, MartinSCI Institute Technical ReportINCITEENP009Berzins, Martin2016
Polymer/Pristine Graphene Based Composites: From Emulsions to Strong, Electrically Conducting Foams10.1021/ma5024236Woltornist, Steven J. an; Carrillo, Jan-Michael Y.; Xu, Thomas O.; Dobrynin, Andrey V.; Adamson, Douglas H.MACROMOLECULESESMAT054Hill, Judith2015
Probabilistic precipitation and temperature downscaling of the Twentieth Century Reanalysis over France10.5194/cp-12-635-2016Caillouet, Laurie; Vidal, Jean-Philippe; Sauquet, Eric; Graff, BenjaminCLIMATE OF THE PASTINCITECLI028Compo, Gilbert2016
Probing for quantum speedup in spin-glass problems with planted solutions10.1103/PhysRevA.92.042325Hen, Itay; Job, Joshua; Albash, Tameem; Ronnow, Troels F.; Troyer, Matthias; Lidar, Daniel A.PHYSICAL REVIEW AALCCPHY103Hen, Itay2015
Probing the Bose glass-superfluid transition using quantum quenches of disorder10.1038/NPHYS3695Meldgin, Carolyn; Ray, Ushnish; Russ, Philip; Chen, David; Ceperley, David M.; DeMarco, BrianNATURE PHYSICSINCITECPH103Ceperley, David2016
Probing the Twisted Structure of Sickle Hemoglobin Fibers via Particle Simulations10.1016/j.bpj.2016.04.002Lu, Lu; Li, Xuejin; Vekilov, Peter G.; Karniadakis, George EmBIOPHYSICAL JOURNALINCITEBIP118Karniadakis, George2016
Properties of toroidal Alfven eigenmode in DIII-D plasma10.1063/1.4908274Wang, Zhixuan; Lin, Zhihong; Deng, Wenjun; Holod, Ihor; Heidbrink, W. W.; Xiao, Y.; Zhang, H.; Zhang, W.; Van Zeeland, M.PHYSICS OF PLASMASALCCFUS041Lin, Zhihong2015
Protein structure prediction guided by crosslinking restraints - A systematic evaluation of the impact of the crosslinking spacer length10.1016/j.ymeth.2015.05.014Hofmann, Tommy; Fischer, Axel W.; Meiler, Jens; Kalkhof, StefanMETHODSDDLSC100Meiler, Jens2015
Proteomic Stable Isotope Probing Reveals Biosynthesis Dynamics of Slow Growing Methane Based Microbial Communities10.3389/fmicb.2016.00563Marlow, Jeffrey J.; Skennerton, Connor T.; Li, Zhou; Chourey, Karuna; Hettich, Robert L.; Pan, Chongle; Orphan, Victoria J.FRONTIERS IN MICROBIOLOGYALCCBIP108Pan, Chongle2016
Proteomic Stable Isotope Probing Reveals Taxonomically Distinct Patterns in Amino Acid Assimilation by Coastal Marine Bacterioplankton10.1128/mSystems.00027-15Bryson, Samuel; Li, Zhou; Pett-Ridge, Jennifer; Hettich, Robert; Mayali, Xavier; Pan, Chongle; Mueller, RyanmSystemsALCCBIP108Pan, Chongle2016
Proton Distribution Radii of C12–19 Illuminate Features of Neutron Halos10.1103/PhysRevLett.117.102501,Physical Review LettersINCITENPH008James Vary2016
Pseudopotentials for quantum Monte Carlo studies of transition metal oxides10.1103/PhysRevB.93.075143Krogel, Jaron T.; Santana, Juan A.; Reboredo, Fernando A.PHYSICAL REVIEW BINCITECPH103Ceperley, David2016
Pushing Back the Limit of Ab-initio Quantum Transport Simulations on Hybrid Supercomputers10.1145/2807591.2807673Calderara, Mauro; Brueck, Sascha; Pedersen, Andreas; Bani-Hashemina, Hohammad H.; VandeVondele, Joost; Luisier, Mathieu; ,SC15 Proceedings of the International Conference for High Performance Computing, Networking, Storage and AnalysisDDNEL101Luisier, Mathieu2015
Pushing the size limit of de novo structure ensemble prediction guided by sparse SDSL-EPR restraints to 200 residues: The monomeric and homodimeric forms of BAX10.1016/j.jsb.2016.04.014Fischer, Axel W.; Bordignon, Enrica; Bleicken, Stephanie; Garcia-Saez, Ana J.; Jeschke, Gunnar; Meiler, JensJOURNAL OF STRUCTURAL BIOLOGYDDBIP124Meiler, Jens2016
Quantification of Uncertainties in Nuclear Density Functional Theory10.1016/j.nds.2014.12.020Schunck, N.; McDonnell, J. D.; Higdon, D.; Sarich, J.; Wild, S.NUCLEAR DATA SHEETSINCITENPH008Vary, James P.2015
Quantification of fault zone plasticity effects with spontaneous rupture SimulationsRoten, D.; Olsen, K.B.; Day, S.M.; Cui, Y.PAGEOPHINCITEGEO112Thomas Jordan2016
Quantifying changes in climate variability and extremes: Pitfalls and their overcoming10.1002/2015GL066307Sippel, Sebastian; Zscheischler, Jakob; Heimann, Martin; Otto, Friederike E. L.; Peters, Jonas; Mahecha, Miguel D.GEOPHYSICAL RESEARCH LETTERSINCITECLI028Compo, Gilbert2015
Quantum Many-Body Dynamics of Trapped Bosons with the MCTDHB Package: Towards New Horizons with Novel Physics10.1007/978-3-319-10810-0_5Klaiman, Shachar; Lode, Axel U. J.; Sakmann, Kaspar; Streltsova, Oksana I.; Alon, Ofir E.; Cederbaum, Lorenz S.; Streltsov, Alexej I.HIGH PERFORMANCE COMPUTING IN SCIENCE AND ENGINEERING'14: TRANSACTIONS OF THE HIGH PERFORMANCE COMPUTING CENTER, STUTTGART (HLRS) 2014INCITECHM052Pindzola, Michael2015
Quantum Monte Carlo Calculations in Solids with Downfolded Hamiltonians10.1103/PhysRevLett.114.226401Ma, Fengjie; Purwanto, Wirawan; Zhang, Shiwei; Krakauer, HenryPHYSICAL REVIEW LETTERSINCITECHM048Zhang, Shiwei2015
Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures10.1038/ncomms8794Drummond, N. D.; Monserrat, Bartomeu; Lloyd-Williams, Jonathan H.; Rios, P. Lopez; Pickard, Chris J.; Needs, R. J.NATURE COMMUNICATIONSINCITEMAT030Needs, Richard2015
Quantum annealing correction for random Ising problems10.1103/PhysRevA.91.042302Pudenz, Kristen L.; Albash, Tameem; Lidar, Daniel A.PHYSICAL REVIEW AALCCPHY103Hen, Itay2015
Quantum annealing correction with minor embedding10.1103/PhysRevA.92.042310Vinci, Walter; Albash, Tameem; Paz-Silva, Gerardo; Hen, Itay; Lidar, Daniel A.PHYSICAL REVIEW AALCCPHY103Hen, Itay2015
Quantum simulations of nuclei and nuclear pasta with the multiresolution adaptive numerical environment for scientific simulations10.1103/PhysRevC.93.055801Sagert, I.; Fann, G. I.; Fattoyev, F. J.; Postnikov, S.; Horowitz, C. J.PHYSICAL REVIEW CINCITENPH008Vary, James2016
Quarkonium-nucleus bound states from lattice QCD10.1103/PhysRevD.91.114503Beane, S. R.; Chang, E.; Cohen, S. D.; Detmold, W.; Lin, H. -W.; Orginos, K.; Parreno, A.; Savage, M. J.PHYSICAL REVIEW DALCCNPH104Savage, Martin2015
Rashba Spin-Orbit Coupling, Strong Interactions, and the BCS-BEC Crossover in the Ground State of the Two-Dimensional Fermi Gas10.1103/PhysRevLett.117.040401Shi, Hao; Rosenberg, Peter; Chiesa, Simone; Zhang, ShiweiPHYSICAL REVIEW LETTERSDDCPH107Zhang, Shiwei2016
Rashba effect in single-layer antimony telluroiodide SbTeI10.1103/PhysRevB.92.115302Zhuang, Houlong L.; Cooper, Valentino R.; Xu, Haixuan; Ganesh, P.; Hennig, Richard G.; Kent, P. R. C.PHYSICAL REVIEW BINCITEMAT044Kent, Paul2015
Reactions of Th+ + H-2, D-2, and HD Studied by Guided Ion Beam Tandem Mass Spectrometry and Quantum Chemical Calculations10.1021/acs.jpcb.5b08008Cox, Richard M.; Armentrout, P. B.; de Jong, Wibe A.JOURNAL OF PHYSICAL CHEMISTRY BINCITECPH101Dixon, David2016
Recent Advances in Two-Dimensional Materials beyond Graphene10.1021/acsnano.5b05556Bhimanapati, Ganesh R.; Lin, Zhong; Meunier, Vincent; Jung, Yeonwoong; Cha, Judy; Das, Saptarshi; Xiao, Di; Son, Youngwoo; Strano, Michael S.; Cooper, Valentino R.; Liang, Liangbo; Louie, Steven G.; Ringe, Emilie; Zhou, Wu; Kim, Steve S.; Naik, Rajesh R.; Sumpter, Bobby G.; Terrones, Humberto; Xia, Fengnian; Wang, Yeliang; Zhu, Jun; Akinwande, Deji; Alem, Nasim; Schuller, Jon A.; Schaak, Raymond E.; Terrones, Mauricio; Robinson, Joshua A.ACS NANODD ( & INCITE)MAT101 ( & MAT044)Sumpter, Bobby (& Kent, Paul)2015
Recent seasonal asymmetric changes in the NAO (a marked summer decline and increased winter variability) and associated changes in the AO and Greenland Blocking Index10.1002/joc.4157Hanna, Edward; Cropper, Thomas E.; Jones, Philip D.; Scaife, Adam A.; Allan, RobINTERNATIONAL JOURNAL OF CLIMATOLOGYINCITECLI028Compo, Gilbert2015
Recent summer Arctic atmospheric circulation anomalies in a historical perspective10.5194/tc-9-53-2015Belleflamme, A.; Fettweis, X.; Erpicum, M.CRYOSPHEREINCITECLI028Compo, Gilbert2015
Reconstruction of the springtime East Asian Subtropical Jet and Western Pacific pattern from a millennial-length Taiwanese tree-ring chronology10.1007/s00382-014-2402-3Wright, W. E.; Guan, B. T.; Tseng, Y. -H.; Cook, E. R.; Wei, K. -Y.; Chang, S. -T.CLIMATE DYNAMICSINCITECLI028Compo, Gilbert2015
Redshift-space distortions in massive neutrino and evolving dark energy cosmologies10.1103/PhysRevD.93.063515Upadhye, Amol; Kwan, Juliana; Pope, Adrian; Heitmann, Katrin; Habib, Salman; Finkel, Hal; Frontiere, NicholasPHYSICAL REVIEW DINCITEHEP100Habib, Salman2016
Reexamination of the evidence for entanglement in a quantum annealer10.1103/PhysRevA.92.062328Albash, Tameem; Hen, Itay; Spedalieri, Federico M.; Lidar, Daniel A.PHYSICAL REVIEW AALCCPHY103Hen, Itay2015
Reexamining classical and quantum models for the D-Wave One processor10.1140/epjst/e2015-02346-0Albash, T.; Ronnow, T. F.; Troyer, M.; Lidar, D. A.EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICSALCCPHY103Hen, Itay2015
Regional and global forcing of glacier retreat during the last deglaciation10.1038/ncomms9059Shakun, Jeremy D.; Clark, Peter U.; He, Feng; Lifton, Nathaniel A.; Liu, Zhengyu; Otto-Bliesner, Bette L.NATURE COMMUNICATIONSINCITECLI017Washington, Warren2015
Regional hydrologic response to climate change in the conterminous United States using high-resolution hydroclimate simulations10.1016/j.gloplacha.2016.06.003Naz, Bibi S.; Kao, Shih-Chieh; Ashfaq, Moetasim; Rastogi, Deeksha; Mei, Rui; Bowling, Laura C.GLOBAL AND PLANETARY CHANGEDDCLI105Ashfaq, Moetasim2016
Reinventing atomistic magnetic simulations with spin-orbit coupling10.1103/PhysRevB.93.060402Perera, Dilina; Eisenbach, Markus; Nicholson, Don M.; Stocks, G. Malcolm; Landau, David P.PHYSICAL REVIEW BINCITEMAT020Eisenbach, Markus2016
Relativistic Coulomb Excitation within the Time Dependent Superfluid Local Density Approximation10.1103/PhysRevLett.114.012701Stetcu, I.; Bertulani, C. A.; Bulgac, A.; Magierski, P.; Roche, K. J.PHYSICAL REVIEW LETTERSALCCNPH014Bulgac, Aurel2015
Reliability Lessons Learned From GPU Experience With The Titan Supercomputer at Oak Ridge Leadership Computing Facility10.1145/2807591.2807666TIWARI, DEVESH; GUPTA, SAURABH; Gallarno, George; ROGERS II, JAMES; MAXWELL, DONSC '15 Proceedings of the International Conference for High Performance Computing, Networking, Storage and AnalysisSTAFFSTAFFSTAFF2015
Replica-Exchange Wang-Landau Sampling: Pushing the Limits of Monte Carlo Simulations in Materials Sciences10.1002/9781119093466.ch98Perera, Meewanage Dilina N. (ORNL); Li, Ying Wai (ORNL); Eisenbach, Markus (ORNL); Vogel, Thomas (Los Alamos National Laboratory (LANL)); Landau, David P (University of Georgia; Athens, GA)TMS 2015 SUPLEMENTAL PROCEEDINGSINCITEMAT020Eisenbach, Markus2015
Researchers Mine Information from Next-Generation Subsurface Flow Simulations10.1109/MCSE.2016.15Gedenk, EricCOMPUTING IN SCIENCE & ENGINEERINGSTAFFSTAFFSTAFF2016
Resident Block-Structured Adaptive Mesh Refinement on Thousands of Graphics Processing Units10.1109/ICPP.2015.15Beckingsale, David; Gaudin, Wayne; Herdman, Andy; Jarvis, Stephen2015 44TH INTERNATIONAL CONFERENCE ON PARALLEL PROCESSING (ICPP)INCITECSC103Oliker, Leonid2015
Resolving the Paradox of Oceanic Large-Scale Balance and Small-Scale Mixing10.1103/PhysRevLett.114.114504Marino, R.; Pouquet, A.; Rosenberg, D.PHYSICAL REVIEW LETTERSINCITEENP008Kurien, Susan2015
Resonances in coupled pi K,eta K scattering from lattice QCD10.1103/PhysRevD.91.054008Wilson, David J.; Dudek, Jozef J.; Edwards, Robert G.; Thomas, Christopher E.PHYSICAL REVIEW DALCCNPH103Edwards, Robert2015
Resonant pi(+)gamma -> pi(+)pi(0) Amplitude from Quantum Chromodynamics10.1103/PhysRevLett.115.242001Briceno, Raul A.; Dudek, Jozef J.; Edwards, Robert G.; Shultz, Christian J.; Thomas, Christopher E.; Wilson, David J.PHYSICAL REVIEW LETTERSALCCNPH103Edwards, Robert2015
Response of flame thickness and propagation speed under intense turbulence in spatially developing lean premixed methane-air jet flames10.1016/j.combustflame.2015.05.019Sankaran, Ramanan; Hawkes, Evatt R.; Yoo, Chun Sang; Chen, Jacqueline H.COMBUSTION AND FLAMEINCITECMB103Chen, Jacqueline2015
Revealing spatially heterogeneous relaxation in a model nanocomposite10.1063/1.4935595Cheng, Shiwang; Mirigian, Stephen; Carrillo, Jan-Michael Y.; Bocharova, Vera; Sumpter, Bobby G.; Schweizer, Kenneth S.; Sokolov, Alexei P.JOURNAL OF CHEMICAL PHYSICSDDMAT101Sumpter, Bobby2015
Revisit of polystyrene-modified fullerene core stars: A computational study10.1016/j.jmgm.2015.06.014Zhou, JiaJOURNAL OF MOLECULAR GRAPHICS & MODELLINGDDMAT101Sumpter, Bobby2015
Robust effects of cloud superparameterization on simulated daily rainfall intensity statistics across multiple versions of the Community Earth System Model10.1002/2015MS000574Kooperman, Gabriel J.; Pritchard, Michael S.; Burt, Melissa A.; Branson, Mark D.; Randall, David A.JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMSINCITECLI017Washington, Warren2016
Role of the North Pacific sea surface temperature in the East Asian winter monsoon decadal variability10.1007/s00382-015-2805-9Sun, Jianqi; Wu, Sha; Ao, JuanCLIMATE DYNAMICSINCITE2016
Roofline Model Toolkit: A Practical Tool for Architectural and Program Analysis10.1007/978-3-319-17248-4_7Lo, Yu Jung; Williams, Samuel; Van Straalen, Brian; Ligocki, Terry J.; Cordery, Matthew J.; Wright, Nicholas J.; Hall, Mary W.; Oliker, LeonidHIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING, AND SIMULATIONINCITECSC103Oliker, Leonid2015
SHIFT: A Massively Parallel Monte Carlo Radiation Transport PackagePandya, Tara; Johnson, Seth; Davidson, Gregory; Evans, Thomas; Hamilton, StevenM&C+SNA+MCALCCNFI102Davidson, Gregory2015
Scalable Metropolis Monte Carlo for simulation of hard shapes10.1016/j.cpc.2016.02.024Anderson, Joshua A.; Irrgang, M. Eric; Glotzer, Sharon C.COMPUTER PHYSICS COMMUNICATIONSINCITEMAT110Glotzer, Sharon2016
Scalable and efficient algorithms for the propagation of uncertainty from data through inference to prediction for large-scale problems, with application to flow of the Antarctic ice sheet10.1016/, Tobin; Petra, Noemi; Stadler, Georg; Ghattas, OmarJOURNAL OF COMPUTATIONAL PHYSICSALCCGEO014Ghattas, Omar2015
Scalable tuning of building models to hourly data10.1016/, Aaron; New, JoshuaENERGYDDCSC087New, Joshua2015
Scaling of Magnetic Reconnection in Relativistic Collisionless Pair Plasmas10.1103/PhysRevLett.114.095002Liu, Yi-Hsin; Guo, Fan; Daughton, William; Li, Hui; Hesse, MichaelPHYSICAL REVIEW LETTERSINCITEFUS034Daughton, William2015
Scaling soft matter physics to thousands of graphics processing units in parallel10.1177/1094342015576848Gray, Alan; Hart, Alistair; Henrich, Oliver; Stratford, KevinINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONSINCITECSC102Smith, Lorna2015
Searching for the rules that govern hadron construction10.1038/nature18011Shepherd, Matthew R.; Dudek, Jozef J.; Mitchell, Ryan E.NATUREALCC, INCITEEdwards, Robert; Mackenzie, Paul2016
Select Advances in Computational Accelerator Physics10.1109/TNS.2015.2500686Cary, John R.; Abell, Dan T.; Bell, George I.; Cowan, Benjamin M.; King, Jacob R.; Meiser, Dominic; Pogorelov, Ilya V.; Werner, Gregory R.IEEE TRANSACTIONS ON NUCLEAR SCIENCEDDCSC164Meiser, Dominic2016
Self-Assembled Monolayers of an Azobenzene Derivative on Silica and Their Interactions with Lysozyme10.1021/acs.langmuir.5b03603Wei, Tao; Sajib, Md. Symon Jahan; Samieegohar, Mohammadreza; Ma, Heng; Shine, KatherineLANGMUIRDDMAT104Wei, Tao2015
Self-assembly and structural relaxation in a model ionomer melt10.1063/1.4913517Goswami, Monojoy; Borreguero, Jose M.; Sumpter, Bobby G.JOURNAL OF CHEMICAL PHYSICSDDMAT101Sumpter, Bobby2015
Sensitivity of Solvation Environment to Oxidation State and Position in the Early Actinide Period10.1021/acs.inorgchem.5b00365Clark, Aurora E.; Samuels, Alex; Wisuri, Katy; Landstrom, Sarah; Saul, TessaINORGANIC CHEMISTRYINCITECPH101Dixon, David2015
Short-term time step convergence in a climate model10.1002/2014MS000368Wan, Hui; Rasch, Philip J.; Taylor, Mark A.; Jablonowski, ChristianeJOURNAL OF ADVANCES IN MODELING EARTH SYSTEMSALCCCLI063Rasch, Philip2015
Sigma: Strain-level inference of genomes from metagenomic analysis for biosurveillance10.1093/bioinformatics/btu641Ahn, Tae-Hyuk; Chai, Juanjuan; Pan, ChongleBIOINFORMATICSALCCBIP108Pan, Chongle2015
Signatures of naturally induced variability in the atmosphere using multiple reanalysis datasets10.1002/qj.2492Mitchell, D. M.; Gray, L. J.; Fujiwara, M.; Hibino, T.; Anstey, J. A.; Ebisuzaki, W.; Harada, Y.; Long, C.; Misios, S.; Stott, P. A.; Tan, D.QUARTERLY JOURNAL OF THE ROYAL METEOROLOGICAL SOCIETYINCITECLI028Compo, Gilbert2015
Simulating weather regimes: impact of model resolution and stochastic parameterization10.1007/s00382-014-2238-xDawson, Andrew; Palmer, T. N.CLIMATE DYNAMICSINCITECLI028Compo, Gilbert2015
Simulations of heat transfer to solid particles flowing through an array of heated tubes10.1016/j.solener.2016.01.033Morris, A. B.; Ma, Z.; Pannala, S.; Hrenya, C. M.SOLAR ENERGYALCCPHY104Hrenya, Christine2016
Single-Site Zeolite-Anchored Organoiridium Carbonyl Complexes: Characterization of Structure and Reactivity by Spectroscopy and Computational Chemistry10.1002/chem.201501277Martinez-Macias, Claudia; Chen, Mingyang; Dixon, David A.; Gates, Bruce C.CHEMISTRY-A EUROPEAN JOURNAL2015
Single-photon single ionization of W+ ions: experiment and theory10.1088/0953-4075/48/23/235203Mueller, A.; Schippers, S.; Hellhund, J.; Holste, K.; Kilcoyne, A. L. D.; Phaneuf, R. A.; Ballance, C. P.; McLaughlin, B. M.JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICSINCITECHM052Pindzola, Michael2015
Solutes at the liquid: liquid phase boundary-Solubility and solvent conformational response alter interfacial microsolvation10.1063/1.4914142Ghadar, Yasaman; Parmar, Payal; Samuels, Alex C.; Clark, Aurora E.JOURNAL OF CHEMICAL PHYSICSINCITECHP101Dixon, David2015
Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms10.1103/PhysRevX.5.041041LeBlanc, J. P. F.; Antipov, Andrey E.; Becca, Federico; Bulik, Ireneusz W.; Chan, Garnet Kin-Lic; Chung, Chia-Min; Deng, Youjin; Ferrero, Michel; Henderson, Thomas M.; Jimenez-Hoyos, Carlos A.; Kozik, E.; Liu, Xuan-Wen; Millis, Andrew J.; Prokof'ev, N. V.; Qin, Mingpu; Scuseria, Gustavo E.; Shi, Hao; Svistunov, B. V.; Tocchio, Luca F.; Tupitsyn, I. S.; White, Steven R.; Zhang, Shiwei; Zheng, Bo-Xiao; Zhu, Zhenyue; Gull, EmanuelPHYSICAL REVIEW XDD (and INCITE)CPH107 (and CHM048)Zhang, Shiwei2015
South African droughts and decadal variability10.1007/s11069-015-1989-yMalherbe, J.; Dieppois, B.; Maluleke, P.; Van Staden, M.; Pillay, D. L.NATURAL HAZARDSINCITECLI028Compo, Gilbert2016
Southward shift of the northern tropical belt from 1945 to 198010.1038/NGEO2568Broennimann, Stefan; Fischer, Andreas M.; Rozanov, Eugene; Poli, Paul; Compo, Gilbert P.; Sardeshmukh, Prashant D.NATURE GEOSCIENCEINCITECLI028Compo, Gilbert2015
Spatial Locality-Aware Cache Partitioning for Effective Cache Sharing10.1109/ICPP.2015.24Gupta, Saurabh; Zhou, Huiyang2015 44TH INTERNATIONAL CONFERENCE ON PARALLEL PROCESSING (ICPP)STAFFSTAFFSTAFF2015
Spatially resolved estimation of ozone-related mortality in the United States under two representative concentration pathways (RCPs) and their uncertainty10.1007/s10584-014-1290-1Kim, Young-Min; Zhou, Ying; Gao, Yang; Fu, Joshua S.; Johnson, Brent A.; Huang, Cheng; Liu, YangCLIMATIC CHANGEALCCCLI111Leung, Ruby2015
Spectroscopy of doubly charmed baryons from lattice QCD10.1103/PhysRevD.91.094502Padmanath, M.; Edwards, Robert G.; Mathur, Nilmani; Peardon, MichaelPHYSICAL REVIEW DINCITELGT003Mackenzie, Paul2015
Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP2-Regulated Dynamics of the N-Terminus10.1021/acschemneuro.5b00179Khelashvili, George; Stanley, Nathaniel; Sahai, Michelle A.; Medina, Jaime; LeVine, Michael V.; Shi, Lei; De Fabritiis, Gianni; Weinstein, HarelACS CHEMICAL NEUROSCIENCEALCCBIP109Weinstein, Harel2015
Status of the MAJORANA DEMONSTRATOR: A search for neutrinoless double-beta decay10.1142/S0217751X1530032XEfremenko, Yu.; Abgrall, N.; Arnquist, I. J.; Avignone, F. T.; Baldenegro-Barrera, C. X.; Barabash, A. S.; Bertrand, F. E.; Bradley, A. W.; Brudanin, V.; Busch, M.; Buuck, M.; Byram, D.; Caldwell, A. S.; Chan, Y. -D.; Christofferson, C. D.; Cuesta, C.; Detwiler, J. A.; Ejiri, H.; Elliott, S. R.; Galindo-Uribarri, A.; Gilliss, T.; Giovanetti, G. K.; Goett, J.; Green, M. P.; Gruszko, J.; Guinn, I.; Guiseppe, V. E.; Henning, R.; Hoppe, E. W.; Howard, S.; Howe, M. A.; Jasinski, B. R.; Keeter, K. J.; Kidd, M. F.; Konovalov, S. I.; Kouzes, R. T.; LaFerriere, B. D.; Leon, J.; MacMullin, J.; Martin, R. D.; Meijer, S. J.; Mertens, S.; Orrell, J. L.; O'Shaughnessy, C.; Poon, A. W. P.; Radford, D. C.; Rager, J.; Rielage, K.; Robertson, R. G. H.; Romero-Romero, E.; Shanks, B.; Shirchenko, M.; Snyder, N.; Suriano, A. M.; Tedeschi, D.; Trimble, J. E.; Varner, R. L.; Vasilyev, S.; Vetter, K.; Vorren, K.; White, B. R.; Wilkerson, J. F.; Wiseman, C.; Xu, W.; Yakushev, E.; Yu, C. -H.; Yumatov, V.; Zhitnikov, I.INTERNATIONAL JOURNAL OF MODERN PHYSICS ADDNPH016Varner, Robert2015
Stochastic method with low mode substitution for nucleon isovector matrix elements10.1103/PhysRevD.93.034503Yang, Yi-Bo; Alexandru, Andrei; Draper, Terrence; Gong, Ming; Liu, Keh-FeiPHYSICAL REVIEW DALCCNPH102Liu, Kei-Fei2016
Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe3GeTe210.1103/PhysRevB.93.134407Zhuang, Houlong L.; Kent, P. R. C.; Hennig, Richard G.PHYSICAL REVIEW BINCITEMAT044Kent, Paul2016
Strong enhancement of surface diffusion by nonlinear surface acoustic waves10.1103/PhysRevB.91.235450Shugaev, Maxim V.; Manzo, Anthony J.; Wu, Chengping; Zaitsev, Vladimir Yu.; Helvajian, Henry; Zhigilei, Leonid V.PHYSICAL REVIEW BDDMAT048Zhigilei, Leonid2015
Strong scaling of general-purpose molecular dynamics simulations on GPUs10.1016/j.cpc.2015.02.028Glaser, Jens; Trung Dac Nguyen, undefined; Anderson, Joshua A.; Lui, Pak; Spiga, Filippo; Millan, Jaime A.; Morse, David C.; Glotzer, Sharon C.COMPUTER PHYSICS COMMUNICATIONSINCITEMAT110Glotzer, Sharon2015
Structural Descriptors Controlling Ionic Motion in Solid Electrolytes from Automated Atomistic ComputationsP. Mehta, B. KozinskyElectrochemical Society (ECS)INCITEMAT045Kozinsky, Boris2015
Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo10.1063/1.4919242Santana, Juan A.; Krogel, Jaron T.; Kim, Jeongnim; Kent, Paul R. C.; Reboredo, Fernando A.JOURNAL OF CHEMICAL PHYSICSINCITEMAT044Kent, Paul2015
Structure of hydrogen-rich transverse jets in a vitiated turbulent flow10.1016/j.combustflame.2014.10.014Lyra, Sgouria; Wilde, Benjamin; Kolla, Hemanth; Seitzman, Jerry M.; Lieuwen, Timothy C.; Chen, Jacqueline H.COMBUSTION AND FLAMEINCITECMB103Chen, Jacqueline2015
Structures and Energetics of (MgCO3)(n) Clusters (n <= 16)10.1021/jp511823kChen, Mingyang; Jackson, Virgil E.; Felmy, Andrew R.; Dixon, David A.JOURNAL OF PHYSICAL CHEMISTRY AINCITECHP101Dixon, David2015
Structures and Properties of the Products of the Reaction of Lanthanide Atoms with H2O: Dominance of the plus II Oxidation State10.1021/acs.jpca.5b11215Mikulas, Tanya C.; Chen, Mingyang; Fang, Zongtang; Peterson, Kirk A.; Andrews, Lester; Dixon, David A.JOURNAL OF PHYSICAL CHEMISTRY AINCITECHP101Dixon, David2016
Structures and electronic properties of GaSe and GaS nanoribbons10.1039/c5ra14646aZhou, JiaRSC ADVANCESDDMAT101Sumpter, Bobby2015
Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations10.1063/1.4922984Zhao, Xin; Ke, Liqin; Manh Cuong Nguyen, undefined; Wang, Cai-Zhuang; Ho, Kai-MingJOURNAL OF APPLIED PHYSICSINCITEMAT046Harmon, Bruce2015
Student cluster competition: a multi-disciplinary undergraduate HPC educational tool10.1145/2831425.2831428Harrell, S.; Nam, H.; Vergara Larrea, V.; Keville, K.; Kamalic, D.EduHPC '15 Proceedings of the Workshop on Education for High-Performance ComputingSTAFFSTAFFSTAFF2015
Submonolayer Ag films on Fe(100): A first-principles analysis of energetics controlling adlayer thermodynamics and kinetics10.1103/PhysRevB.93.155416Li, Wei; Huang, Li; Evans, James W.; Han, YongPHYSICAL REVIEW BDDMAT112Han, Yong2016
Supercomputing Centers and Electricity Service Providers: A Geographically Distributed Perspective on Demand Management in Europe and the United States10.1007/978-3-319-41321-1_13Patki, Tapasya; Bates, Natalie; Ghatikar, Garish; Clausen, Anders; Klingert, Sonja; Abdulla, Ghaleb; Shiekhalishahi, MehdiLecture Notes in Computer ScienceSTAFFSTAFFSTAFF2016
Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework10.1038/nchem.2114Yang, Sihai; Ramirez-Cuesta, Anibal J.; Newby, Ruth; Garcia-Sakai, Victoria; Manuel, Pascal; Callear, Samantha K.; Campbell, Stuart I.; Tang, Chiu C.; Schroeder, MartinNature ChemistryDDMAT049Park, Byung Hoon2015
Surfactant-Mediated Polyelectrolyte Self-Assembly in a Polyelectrolyte-Surfactant Complex10.1021/acs.macromol.5b02145Goswami, Monojoy; Borreguero, Jose M.; Pincus, Philip A.; Sumpter, Bobby G.MACROMOLECULESDDMAT049Park, Byung Hoon2015
Synchronous I/O Scheduling of Independent Write Caches for an Array of SSDs10.1109/LCA.2014.2298394Lee, Junghee; Kim, Youngjae; Kim, Jongman; Shipman, Galen M.IEEE COMPUTER ARCHITECTURE LETTERSSTAFFSTAFFSTAFF2015
THE DEVELOPMENT OF EXPLOSIONS IN AXISYMMETRIC AB INITIO CORE-COLLAPSE SUPERNOVA SIMULATIONS OF 12-25 M-circle dot STARS10.3847/0004-637X/818/2/123Bruenn, Stephen W.; Lentz, Eric J.; Hix, W. Raphael; Mezzacappa, Anthony; Harris, J. Austin; Messer, O. E. Bronson; Endeve, Eirik; Blondin, John M.; Chertkow, Merek Austin; Lingerfelt, Eric J.; Marronetti, Pedro; Yakunin, Konstantin N.ASTROPHYSICAL JOURNALINCITEAST005Lentz, Eric2016
THE EARTH SYSTEM PREDICTION SUITE Toward a Coordinated US Modeling Capability10.1175/BAMS-D-14-00164.1Theurich, Gerhard; DeLuca, C.; Campbell, T.; Liu, F.; Saint, K.; Vertenstein, M.; Chen, J.; Oehmke, R.; Doyle, J.; Whitcomb, T.; Wallcraft, A.; Iredell, M.; Black, T.; da Silva, A. M.; Clune, T.; Ferraro, R.; Li, P.; Kelley, M.; Aleinov, I.; Balaji, V.; Zadeh, N.; Jacob, R.; Kirtman, B.; Giraldo, F.; McCarren, D.; Sandgathe, S.; Peckham, S.; Dunlap, R.BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY2016
THE MULTI-DIMENSIONAL CHARACTER OF CORE-COLLAPSE SUPERNOVAE10.5506/APhysPolB.47.645Hix, W. R.; Lentz, E. J.; Bruenn, S. W.; Mezzacappa, A.; Messer, O. E. B.; Endeve, E.; Blondin, J. M.; Harris, J. A.; Marronetti, P.; Yakunin, K. N.ACTA PHYSICA POLONICA BINCITEAST005Lentz, Eric2016
THE Q CONTINUUM SIMULATION: HARNESSING THE POWER OF GPU ACCELERATED SUPERCOMPUTERS10.1088/0067-0049/219/2/34Heitmann, Katrin; Frontiere, Nicholas; Sewell, Chris; Habib, Salman; Pope, Adrian; Finkel, Hal; Rizzi, Silvio; Insley, Joe; Bhattacharya, SumanASTROPHYSICAL JOURNAL SUPPLEMENT SERIESINCITEHEP100Habib, Salman2015
THREE-DIMENSIONAL CORE-COLLAPSE SUPERNOVA SIMULATED USING A 15 M-circle dot PROGENITOR10.1088/2041-8205/807/2/L31Lentz, Eric J.; Bruenn, Stephen W.; Hix, W. Raphael; Mezzacappa, Anthony; Messer, O. E. Bronson; Endeve, Eirik; Blondin, John M.; Harris, J. Austin; Marronetti, Pedro; Yakunin, Konstantin N.ASTROPHYSICAL JOURNAL LETTERSINCITEAST005Lentz, Eric2015
TRIO: Burst Buffer Based I/O Orchestration10.1109/CLUSTER.2015.38Wang, Teng; Oral, Sarp; Pritchard, Michael; Wang, Bin; Yu, Weikuan2015 IEEE INTERNATIONAL CONFERENCE ON CLUSTER COMPUTING - CLUSTER 2015STAFFSTAFFSTAFF2015
Tailoring Kinetics on a Topological Insulator Surface by Defect-Induced Strain: Pb Mobility on Bi2Te310.1021/acs.nanolett.6b01604Huang, Wen-Kai; Zhang, Kai-Wen; Yang, Chao-Long; Ding, Haifeng; Wan, Xiangang; Li, Shao-Chun; Evans, James W.; Han, YongNANO LETTERS2016
Tales of Dihydrofolate Binding to R67 Dihydrofolate Reductase10.1021/acs.biochem.5b00981Duff, Michael R.; Chopra, Shaileja; Strader, Michael Brad; Agarwal, Pratul K.; Howell, Elizabeth E.BIOCHEMISTRYDDBIP100Agarwal, Pratul2016
Tempo-spatial characteristics of sub-daily temperature trends in mainland China10.1007/s00382-015-2726-7Ren, Yuyu; Parker, David; Ren, Guoyu; Dunn, RobertCLIMATE DYNAMICSINCITECLI029Compo, Gilbert2016
The Behavior of Bilayer Leaflets in Asymmetric Model Membranes: Atomistic Simulation Studies10.1021/acs.jpcb.6b02148Tian, Jianhui; Nickels, Jonathan D.; Katsaras, John; Cheng, XiaolinThe Journal of Physical Chemistry BINCITEBIP121Cheng, Xiaolin2016
The ENSO-Australian rainfall teleconnection in reanalysis and CMIP510.1007/s00382-014-2159-8King, Andrew D.; Donat, Markus G.; Alexander, Lisa V.; Karoly, David J.CLIMATE DYNAMICSINCITECLI028Compo, Gilbert2015
The Effect of the TseTse Fly on African Development10.1257/aer.20130604Alsan, MarcellaAmerican Economic ReviewINCITECLI028Compo, Gilbert2015
The Forcing of Southwestern Asia Teleconnections by Low-Frequency Sea Surface Temperature Variability during Boreal Winter10.1175/JCLI-D-14-00344.1Hoell, Andrew; Funk, Chris; Barlow, MathewJOURNAL OF CLIMATEINCITECLI028Compo, Gilbert2015
The Implementation of Magnetic Islands in Gyrokinetic Toroidal Code10.1088/1009-0630/18/2/05Jiang Peng, undefined; Lin Zhihong, undefined; Holod, Ihol; Xiao Chijie, undefinedPLASMA SCIENCE & TECHNOLOGYDDFUS107Lin, Zhihong2016
The International Surface Pressure Databank version 210.1002/gdj3.25Cram, Thomas A.; Compo, Gilbert P.; Yin, Xungang; Allan, Robert J.; McColl, Chesley; Vose, Russell S.; Whitaker, Jeffrey S.; Matsui, Nobuki; Ashcroft, Linden; Auchmann, Renate; Bessemoulin, Pierre; Brandsma, Theo; Brohan, Philip; Brunet, Manola; Comeaux, Joseph; Crouthamel, Richard; Gleason, Byron E.; Groisman, Pavel Y.; Hersbach, Hans; Jones, Philip D.; Jonsson, Trausti; Jourdain, Sylvie; Kelly, Gail; Knapp, Kenneth R.; Kruger, Andries; Kubota, Hisayuki; Lentini, Gianluca; Lorrey, Andrew; Lott, Neal; Lubker, Sandra J.; Luterbacher, Juerg; Marshall, Gareth J.; Maugeri, Maurizio; Mock, Cary J.; Mok, Hing Y.; Nordli, Oyvind; Rodwell, Mark J.; Ross, Thomas F.; Schuster, Douglas; Srnec, Lidija; Valente, Maria Antonia; Vizi, Zsuzsanna; Wang, Xiaolan L.; Westcott, Nancy; Woollen, John S.; Worley, Steven J.GEOSCIENCE DATA JOURNALINCITECLI028Compo, Gilbert2015
The MAJORANA DEMONSTRATOR radioassay program10.1016/j.nima.2016.04.070Abgrall, N.; Arnquist, I. J.; Avignone, F. T.; Back, H. O.; Barabash, A. S.; Bertrand, F. E.; Boswell, M.; Bradley, A. W.; Brudanin, V.; Busch, M.; Buuck, M.; Byram, D.; Caldwell, A. S.; Chan, Y. -D.; Christofferson, C. D.; Chu, P. -H.; Cuesta, C.; Detwiler, J. A.; Dunmore, J. A.; Efremenko, Yu; Ejiri, H.; Elliott, S. R.; Finnerty, P.; Galindo-Uribarri, A.; Gehman, V. M.; Gilliss, T.; Giovanetti, G. K.; Goett, J.; Green, M. P.; Gruszko, J.; Guinn, I. S.; Guiseppe, V. E.; Henning, R.; Hoppe, E. W.; Howard, S.; Howe, M. A.; Jasinski, B. R.; Johnson, R. A.; Keeter, K. J.; Kidd, M. F.; Kochetov, O.; Konovalov, S. I.; Kouzes, R. T.; LaFerriere, B. D.; Leon, J.; Loach, J. C.; MacMullin, J.; MacMullin, S.; Martin, R. D.; Massarczyk, R.; Meijer, S.; Mertens, S.; Miller, M. L.; Orrell, J. L.; O'Shaughnessy, C.; Overman, N. R.; Poon, A. W. P.; Pushkin, K.; Radford, D. C.; Rager, J.; Rielage, K.; Robertson, R. G. H.; Romero-Romero, E.; Ronquest, M. C.; Schubert, A. G.; Shanks, B.; Shirchenko, M.; Snavely, K. J.; Snyder, N.; Steele, D.; Suriano, A. M.; Tedeschi, D.; Trimble, J. E.; Varner, R. L.; Vasilyev, S.; Vetter, K.; Vorren, K.; White, B. R.; Wilkerson, J. F.; Wiseman, C.; Xu, W.; Yakushev, E.; Yu, C. -H.; Yumatov, V.; Zhitnikov, I.NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENTDDNPH016Varner, Robert2016
The MAJORANA Parts Tracking Database10.1016/j.nima.2015.01.001Abgrall, N.; Aguayo, E.; Avignone, F. T.; Barabash, A. S.; Bertrand, F. E.; Brudanin, V.; Busch, M.; Byram, D.; Caldwell, A. S.; Chan, Y-D.; Christofferson, C. D.; Combs, D. C.; Cuesta, C.; Detwiler, J. A.; Doe, P. J.; Efremenko, Yu; Egorov, V.; Ejiri, H.; Elliott, S. R.; Esterline, J.; Fast, J. E.; Finnerty, P.; Fraenkle, F. M.; Galindo-Uribarri, A.; Giovanetti, G. K.; Goett, J.; Green, M. P.; Gruszko, J.; Guiseppe, V. E.; Gusev, K.; Hallin, A. L.; Hazama, R.; Hegai, A.; Henning, R.; Hoppe, E. W.; Howard, S.; Howe, M. A.; Keeter, K. J.; Kidd, M. F.; Kochetov, O.; Konovalov, S. I.; Kouzes, R. T.; LaFerriere, B. D.; Leon, J. Diaz; Leviner, L. E.; Loach, J. C.; MacMullin, J.; Martin, R. D.; Meijer, S. J.; Mertens, S.; Miller, M. L.; Mizouni, L.; Nomachi, M.; Orrell, J. L.; O'Shaughnessy, C.; Overman, N. R.; Petersburg, R.; Phillips, D. G.; Poon, A. W. P.; Pushkin, K.; Radford, D. C.; Rager, J.; Rielage, K.; Robertson, R. G. H.; Romero-Romero, E.; Ronquest, M. C.; Shanks, B.; Shima, T.; Shirchenko, M.; Snavely, K. J.; Snyder, N.; Soin, A.; Suriano, A. M.; Tedeschi, D.; Thompson, J.; Timkin, V.; Tornow, W.; Trimble, J. E.; Varner, R. L.; Vasilyev, S.; Vetter, K.; Vorren, K.; White, B. R.; Wilkerson, J. F.; Wiseman, C.; Xu, W.; Yakushev, E.; Young, A. R.; Yu, C-H.; Yumatov, V.; Zhitnikov, I.NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENTDDNPH016Varner, Robert2015
The Plasma Simulation Code: A modern particle-in-cell code with patch-based load-balancing10.1016/, Kai; Fox, William; Abbott, Stephen; Ahmadi, Narges; Maynard, Kristofor; Wang, Liang; Ruhl, Hartmut; Bhattacharjee, AmitavaJOURNAL OF COMPUTATIONAL PHYSICSBhattachargee, Amitava2016
The Valence-Fluctuating Ground State of Plutonium10.1126/sciadv.1500188Janoschek, M.; Pinaki Das, B.; Chakrabarti, D.; Abernathy, L.; Lumsden, M.; Lawrence, J.; Thompson, J.; Lander, G.; Mitchell, J.; Richmond, S.; Ramos, M.; Trouw, F.; Zhu, J.-X.; Haule, K.; Kotliar, G.; Bauer, E.SCIENCE ADVANCESALCCCPH105Kotliar, Gabriel2015
The dynamics of single protein molecules is non-equilibrium and self-similar over thirteen decades in time10.1038/NPHYS3553Hu, Xiaohu; Hong, Liang; Smith, Micholas Dean; Neusius, Thomas; Cheng, Xiaolin; Smith, Jeremy C.NATURE PHYSICSINCITEBIP107Smith, Jeremy2016
The effect of intrinsic crumpling on the mechanics of free-standing graphene10.1038/ncomms9789Nicholl, Ryan J. T.; Conley, Hiram J.; Lavrik, Nickolay V.; Vlassiouk, Ivan; Puzyrev, Yevgeniy S.; Sreenivas, Vijayashree Parsi; Pantelides, Sokrates T.; Bolotin, Kirill I.NATURE COMMUNICATIONSDDCPH106Puzyrev, Yevgeniy2015
The integrated Earth system model version 1: formulation and functionality10.5194/gmd-8-2203-2015Collins, W. D.; Craig, A. P.; Truesdale, J. E.; Di Vittorio, A. V.; Jones, A. D.; Bond-Lamberty, B.; Calvin, K. V.; Edmonds, J. A.; Kim, S. H.; Thomson, A. M.; Patel, P.; Zhou, Y.; Mao, J.; Shi, X.; Thornton, P. E.; Chini, L. P.; Hurtt, G. C.GEOSCIENTIFIC MODEL DEVELOPMENTALCCCLI112Thornton, Peter2015
The same number of optimized parameters scheme for determining intermolecular interaction energies10.1063/1.4915141Kristensen, Kasper; Ettenhuber, Patrick; Eriksen, Janus Juul; Jensen, Frank; Jorgensen, PoulJOURNAL OF CHEMICAL PHYSICSINCITECHP100Jorgensen, Poul2015
The spatial extent and dynamics of the Antarctic Cold Reversal10.1038/NGEO2580Pedro, Joel B.; Bostock, Helen C.; Bitz, Cecilia M.; He, Feng; Vandergoes, Marcus J.; Steig, Eric J.; Chase, Brian M.; Krause, Claire E.; Rasmussen, Sune O.; Markle, Bradley R.; Cortese, GiuseppeNATURE GEOSCIENCEINCITECLI017Washington, Warren2016
The transition to the metallic state in low density hydrogen10.1063/1.4935808McMinis, Jeremy; Morales, Miguel A.; Ceperley, David M.; Kim, JeongnimJOURNAL OF CHEMICAL PHYSICSINCITECPH103Ceperley, David2015
The utility of web mining for epidemiological research: studying the association between parity and cancer risk10.1093/jamia/ocv141Tourassi, G.; Yoon, H.; Xu, S.; Han, X.Journal of American Medical Informatics AssociationDDMED100Tourassi, Georgia2016
Theoretical Study of the Initial Stages of Self-Assembly of a Carboxysome's Facet10.1021/acsnano.5b07805Mahalik, J. P.; Brown, Kirsten A.; Cheng, Xiaolin; Fuentes-Cabrera, MiguelACS NANODDBIP022/BIP023Cheng, Xiaolin2016
Theoretical study of triaxial shapes of neutron-rich Mo and Ru nuclei10.1103/PhysRevC.92.034307Zhang, C. L.; Bhat, G. H.; Nazarewicz, W.; Sheikh, J. A.; Shi, YuePHYSICAL REVIEW CINCITENPH008Vary, James P.2015
Theory of inelastic multiphonon scattering and carrier capture by defects in semiconductors: Application to capture cross sections10.1103/PhysRevB.92.214111Barmparis, Georgios D.; Puzyrev, Yevgeniy S.; Zhang, X. -G.; Pantelides, Sokrates T.PHYSICAL REVIEW BDDCPH100Zhang, Xiaoguang2015
Three-Dimensional Discrete Ordinates Reactor Assembly Calculations on GPUsEvans, Thomas; Joubert, Wayne; Hamilton, Steven; Johnson, Seth; Turner, John; Davidson, Gregory; Pandya, TaraM&C+SNA+MCALCCNFI011, NFI012, NFI013Turner, John2015
Three-dimensional topology of turbulent premixed flame interaction10.1016/j.proci.2014.08.003Griffiths, R. A. C.; Chen, J. H.; Kolla, H.; Cant, R. S.; Kollmann, W.PROCEEDINGS OF THE COMBUSTION INSTITUTEINCITECMB103Chen, Jacqueline2015
Tolerance of Intrinsic Defects in PbS Quantum Dots10.1021/acs.jpclett.5b02202Zherebetskyy, Danylo; Zhang, Yingjie; Salmeron, Miguel; Wang, Lin-WangJOURNAL OF PHYSICAL CHEMISTRY LETTERSINCITENTI009Wang, Lin-Wang2015
Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods10.1021/acs.jctc.5b00057Ratcliff, Laura E.; Grisanti, Luca; Genovese, Luigi; Deutsch, Thierry; Neumann, Tobias; Danilov, Denis; Wenzel, Wolfgang; Beljonne, David; Cornil, JeromeJOURNAL OF CHEMICAL THEORY AND COMPUTATIONDDMAT039Jakowski, Jacek2015
Toward a Fundamental Understanding of Nuclear Reactions and Exotic Nuclei10.7566/JPSCP.6.010022Quaglioni, Sofia; Hupin, Guillaume; Langhammer, Joachim; Romero-Redondo, Carolina; Schuster, Micah D.; Johnson, Calwin W.; Navratil, Petr; Roth, RobertJPS Conference ProceedingsINCITENPH008Vary, James P.2015
Tracking interface and common curve dynamics for two-fluid flow in porous media10.1017/jfm.2016.212McClure, J. E.; Berrill, M. A.; Gray, W. G.; Miller, C. T.JOURNAL OF FLUID MECHANICSINCITEGEO106McClure, James2016
Transferability in the future climate of a statistical downscaling method for precipitation in France10.1002/2014JD022236Dayon, G.; Boe, J.; Martin, E.JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERESINCITECLI028Compo, Gilbert2015
Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems10.1063/1.4923254Li, Zhen; Yazdani, Alireza; Tartakovsky, Alexandre; Karniadakis, George EmJOURNAL OF CHEMICAL PHYSICSINCITEBIP118Karniadakis, George2015
Transport domain unlocking sets the uptake rate of an aspartate transporter10.1038/nature14158Akyuz, Nurunisa; Georgieva, Elka R.; Zhou, Zhou; Stolzenberg, Sebastian; Cuendet, Michel A.; Khelashvili, George; Altman, Roger B.; Terry, Daniel S.; Freed, Jack H.; Weinstein, Harel; Boudker, Olga; Blanchard, Scott C.NATUREALCCBIP109Weinstein, Harel2015
Trends and Variability in Sea Ice and Icebergs off the Canadian East Coast10.1080/07055900.2015.1057684Peterson, I. K.; Pettipas, R.; Rosing-Asvid, A.ATMOSPHERE-OCEANINCITECLI028Compo, Gilbert2015
Tropical Pacific response to continental ice sheet topography10.1007/s00382-014-2162-0Lee, Shih-Yu; Chiang, John C. H.; Chang, PingCLIMATE DYNAMICSINCITECLI017Washington, Warren2015
Tunneling and Speedup in Quantum Optimization for Permutation-Symmetric Problems10.1103/PhysRevX.6.031010Muthukrishnan, Siddharth; Albash, Tameem; Lidar, Daniel A.PHYSICAL REVIEW XALCCPHYS103Itay Hen2016
Twelve-month, 12 km resolution North American WRF-Chem v3.4 air quality simulation: performance evaluation10.5194/gmd-8-957-2015Tessum, C. W.; Hill, J. D.; Marshall, J. D.GEOSCIENTIFIC MODEL DEVELOPMENTDDATM007Hill, Jason2015
Twentieth century dust lows and the weakening of the westerly winds over the Tibetan Plateau10.1002/2015GL063217Grigholm, B.; Mayewski, P. A.; Kang, S.; Zhang, Y.; Morgenstern, U.; Schwikowski, M.; Kaspari, S.; Aizen, V.; Aizen, E.; Takeuchi, N.; Maasch, K. A.; Birkel, S.; Handley, M.; Sneed, S.GEOPHYSICAL RESEARCH LETTERSINCITECLI028Compo, Gilbert2015
Two nucleon systems at m(pi) similar to 450 MeV from lattice QCD10.1103/PhysRevD.92.114512Orginos, Kostas; Parreno, Assumpta; Savage, Martin J.; Beane, Silas R.; Chang, Emmanuel; Detmold, WilliamPHYSICAL REVIEW DINCITELGT003Mackenzie, Paul2015
UCX: An Open Source Framework for HPC Network APIs and Beyond10.1109/HOTI.2015.13Shamis, Pavel; Venkata, Manjunath Gorentla; Lopez, M. Graham; Baker, Matthew B.; Hernandez, Oscar; Itigin, Yossi; Dubman, Mike; Shainer, Gilad; Graham, Richard L.; Liss, Liran; Shahar, Yiftah; Potluri, Sreeram; Rossetti, Davide; Becker, Donald; Poole, Duncan; Lamb, Christopher; Kumar, Sameer; Stunkel, Craig; Bosilca, George; Bouteiller, AurelienPROCEEDINGS 2015 IEEE 23RD ANNUAL SYMPOSIUM ON HIGH-PERFORMANCE INTERCONNECTS - HOTI 2015DDCSC040Imam, Neena2015
Uncertainty Analysis and Order-by-Order Optimization of Chiral Nuclear Interactions10.1103/PhysRevX.6.011019Carlsson, B. D.; Ekstroem, A.; Forssen, C.; Stromberg, D. Fahlin; Jansen, G. R.; Lilja, O.; Lindby, M.; Mattsson, B. A.; Wendt, K. A.PHYSICAL REVIEW XINCITENPH008Vary, James2016
Uncertainty Quantification for Nuclear Density Functional Theory and Information Content of New Measurements10.1103/PhysRevLett.114.122501McDonnell, J. D.; Schunck, N.; Higdon, D.; Sarich, J.; Wild, S. M.; Nazarewicz, W.PHYSICAL REVIEW LETTERSINCITENPH008Vary, James P.2015
Uncertainty quantification and propagation in nuclear density functional theory10.1140/epja/i2015-15169-9Schunck, N.; McDonnell, J. D.; Higdon, D.; Sarich, J.; Wild, S. M.EUROPEAN PHYSICAL JOURNAL A2015
Understanding GPU errors on large-scale HPC systems and the implications for system design and operation10.1109/HPCA.2015.7056044Tiwari, Devesh (ORNL); Gupta, Saurabh (ORNL); Rogers, James H. (ORNL); Maxwell, Don E. (ORNL); Rech, Paolo (Universidade Federal do Rio Grande do Sul; Brazil), Vazhkudai; Sudharshan S. (ORNL), Oliveira; Daniel (Universidade Federal do Rio Grande do Sul, Brazil); Londo, Dave M. (ORNL); DeBardeleben, Nathan (Los Alamos National Laboratory (LANL)); Navaux, Philippe (Universidade Federal do Rio Grande do Sul; Brazil), Carro; Luigi (Universidade Federal do Rio Grande do Sul, Brazil); Bland, Arthur S Buddy (ORNL)21st IEEE SYMPOSIUM ON HIGH PERFORMANCE COMPUTER ARCHITECTURE (HPCA)STAFFSTAFFSTAFF2015
Understanding I/O workload characteristics of a Peta-scale storage system10.1007/s11227-014-1321-8Kim, Youngjae; Gunasekaran, RaghulJOURNAL OF SUPERCOMPUTINGSTAFFSTAFFSTAFF2015
Understanding and controlling water stability of MOF-7410.1039/c5ta10416eZuluaga, Sebastian; Fuentes-Fernandez, Erika M. A.; Tan, Kui; Xu, Feng; Li, Jing; Chabal, Yves J.; Thonhauser, TimoJOURNAL OF MATERIALS CHEMISTRY A2016
Unexpectedly large charge radii of neutron-rich calcium isotopes10.1038/NPHYS3645Ruiz, R. F. Garcia; Bissell, M. L.; Blaum, K.; Ekstrom, A.; Froemmgen, N.; Hagen, G.; Hammen, M.; Hebeler, K.; Holt, J. D.; Jansen, G. R.; Kowalska, M.; Kreim, K.; Nazarewicz, W.; Neugart, R.; Neyens, G.; Noertershaeuser, W.; Papenbrock, T.; Papuga, J.; Schwenk, A.; Simonis, J.; Wendt, K. A.; Yordanov, D. T.NATURE PHYSICSINCITENPH008Vary, James2016
Unified ab initio approaches to nuclear structure and reactions10.1088/0031-8949/91/5/053002Navratil, Petr; Quaglioni, Sofia; Hupin, Guillaume; Romero-Redondo, Carolina; Calci, AngeloPHYSICA SCRIPTAINCITENPH008Vary, James2016
Unitary Limit of Two-Nucleon Interactions in Strong Magnetic Fields10.1103/PhysRevLett.116.112301Detmold, William; Orginos, Kostas; Parreno, Assumpta; Savage, Martin J.; Tiburzi, Brian C.; Beane, Silas R.; Chang, EmmanuelPHYSICAL REVIEW LETTERSALCCNPH104Savage, Martin2016
Unraveling the Dynamics of Aminopolymer/Silica Composites10.1021/acs.langmuir.5b04299Carrillo, Jan-Michael Y.; Sakwa-Novak, Miles A.; Holewinski, Adam; Potter, Matthew E.; Rother, Gernot; Jones, Christopher W.; Sumpter, Bobby G.LANGMUIRDDMAT101Sumpter, Bobby2016
Untangling the Effects of Chain Rigidity on the Structure and Dynamics of Strongly Adsorbed Polymer Melts10.1021/acs.macromol.5b00624Carrillo, Jan-Michael Y.; Cheng, Shiwang; Kumar, Rajeev; Goswami, Monojoy; Sokolov, Alexei P.; Sumpter, Bobby G.MACROMOLECULESDDMAT101Sumpter, Bobby2015
Use of Continuous Integration Tools for Application Performance MonitoringVergara Larrea, Veronica G. (ORNL); Joubert, Wayne (ORNL); Fuson, Christopher B. (ORNL)PROCEEDINGS OF THE CRAY USER GROUPSTAFFSTAFFSTAFF2015
Using GPUs to Enable Simulation with Computational Gravitational Dynamics in Astrophysics10.1109/MC.2015.334Zwart, Simon Portegies; Bedorf, JeroenCOMPUTERDDAST032Portegies Zwart, Simon2015
Using statistical learning to close two-fluid multiphase flow equations for a simple bubbly system10.1063/1.4930004Ma, Ming; Lu, Jiacai; Tryggvason, GretarPHYSICS OF FLUIDSALCCNFI012Turner, John2015
Utility Functions and Resource Management in an Oversubscribed Heterogeneous Computing Environment10.1109/TC.2014.2360513Khemka, Bhavesh; Friese, Ryan; Briceno, Luis D.; Siegel, Howard Jay; Maciejewski, Anthony A.; Koenig, Gregory A.; Groer, Chris; Okonski, Gene; Hilton, Marcia M.; Rambharos, Rajendra; Poole, SteveIEEE TRANSACTIONS ON COMPUTERSDDCSC040Imam, Neena2015
Utility maximizing dynamic resource management in an oversubscribed energy-constrained heterogeneous computing system10.1016/j.suscom.2014.08.001Khemka, Bhavesh; Friese, Ryan; Pasricha, Sudeep; Maciejewski, Anthony A.; Siegel, Howard Jay; Koenig, Gregory A.; Powers, Sarah; Hilton, Marcia; Rambharos, Rajendra; Poole, SteveSUSTAINABLE COMPUTING-INFORMATICS & SYSTEMSDDCSC040Imam, Neena2015
Utilizing Unused Resources To Improve Checkpoint PerformanceMiller, Ross G. (ORNL); Atchley, Scott (ORNL)PROCEEDINGS OF THE CRAY USER GROUPSTAFFSTAFFSTAFF2015
Variations of characteristic time scales in rotating stratified turbulence using a large parametric numerical study10.1140/epje/i2016-16008-7Rosenberg, D.; Marino, R.; Herbert, C.; Pouquet, A.EUROPEAN PHYSICAL JOURNAL ESTAFFSTAFFSTAFF2016
Verification of gyrokinetic particle simulation of current-driven instability in fusion plasmas. III. Collisionless tearing mode10.1063/1.4941094Liu, Dongjian; Bao, Jian; Han, Tao; Wang, Jiaqi; Lin, ZhihongPHYSICS OF PLASMASALCCFUS041Lin, Zhihong2016
Verification of nonlinear particle simulation of radio frequency waves in tokamak10.1063/1.4934606Kuley, A.; Lin, Z.; Bao, J.; Wei, X. S.; Xiao, Y.; Zhang, W.; Sun, G. Y.; Fisch, N. J.PHYSICS OF PLASMASALCCFUS041Lin, Zhihong2015
WHITE DWARF MERGERS ON ADAPTIVE MESHES. I. METHODOLOGY AND CODE VERIFICATION10.3847/0004-637X/819/2/94Katz, Max P.; Zingale, Michael; Calder, Alan C.; Swesty, F. Douglas; Almgren, Ann S.; Zhang, WeiqunASTROPHYSICAL JOURNALINCITEAST106Zingale, Michael2016
Wavelet analysis of polar vortex variability over the twentieth century10.1002/2014JD022971Glovin, Grant M.; Arbetter, Todd E.; Lynch, Amanda H.JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERESINCITECLI028Compo, Gilbert2016
Why genetic modification of lignin leads to low-recalcitrance biomass10.1039/c4cp05004eCarmona, Christopher; Langan, Paul; Smith, Jeremy C.; Petridis, LoukasPHYSICAL CHEMISTRY CHEMICAL PHYSICSALCCBIP107Smith, Jeremy2015
X-ray Emission from Ionized Wind-Bubbles around Wolf-Rayet StarsDwarkadas, V.V.; Rosenberg, D.Proceedings of an International Workshop held in Potsdam, Germany, 1.–5. June 2015STAFFSTAFFRosenberg, Duane2015
pi pi -> pi gamma* amplitude and the resonant rho -> pi gamma* transition from lattice QCD10.1103/PhysRevD.93.114508Briceno, Raul A.; Dudek, Jozef J.; Edwards, Robert G.; Shultz, Christian J.; Thomas, Christopher E.; Wilson, David J.PHYSICAL REVIEW DINCITELGT003Paul Mackenzie2016