Publications

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, ashley@ornl.gov.

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/j.jcp.2016.03.064Hager, 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/j.jcp.2016.03.062Ku, 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/j.jcp.2015.01.029Philip, 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
AN ADAPTIVE FINITE VOLUME METHOD FOR THE INCOMPRESSIBLE NAVIER-STOKES EQUATIONS IN COMPLEX GEOMETRIES10.2140/camcos.2015.10.43Trebotich, David; Graves, Daniel T.COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCEALCCGEO110Trebotich, David2015
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/j.jcp.2016.02.012Hamilton, 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/j.jcp.2016.04.036Sturdevant, 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
BEAM: A computational workflow system for managing and modeling material characterization data in HPC environments10.1016/j.procs.2016.05.410QUIGLEY III, JOHN; LINGERFELT, ERIC; BARKER, KENNETH; BELIANINOV, ALEX; DISNEY, MATTHEW; ENDEVE, EIRIK; OVCHINNIKOV, OLEG; SOMNATH, SUHAS; BORREGUERO CALVO, JOSE; GRODOWITZ, NATHAN; PARK, BYUNG; ARCHIBALD, RICHARD; SYMONS, CHRISTOPHER; KALININ, SERGEI; MESSER II, OTIS; SHANKAR, MALLIKARJUN; JESSE, STEPHENProcedia Computer Science2016
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
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