2014 INCITE Projects

Biology

Assembling and Sustaining the “Acid Mantle” of the Human Skin Barrier
Michael Klein, Temple University
75,000,000 hours

Designing O2 Tolerant Hydrogenases
Vijay Pande, Stanford University
16,000,000 hours

Petascale Computing of Biomolecular Systems
Klaus Schulten, University of Illinois at Urbana-Champaign
150,000,000 hours

Chemistry

DNS of Turbulent Combustion Towards Fuel-Flexible Gas Turbines and IC Engines
Jacqueline Chen, Sandia National Laboratories
106,000,000 hours

Computational Actinide Chemistry: Reliable Predictions and New Concepts
David Dixon, The University of Alabama
150,000,000 hours

Large-Scale Coupled-Cluster Calculations of Supramolecular Wires
Poul Jorgensen, Aarhus University
24,000,000 hours

Precision Many-Body Quantum Simulations of Functionalized Structures
Shiwei Zhang, The College of William and Mary
30,000,000 hours

Computer Science

Performance Evaluation and Analysis Consortium (PEAC) End Station
Leonid Oliker, Lawrence Berkley National Laboratory
45,000,000 hours

Collaborative Research into Exascale Systemware, Tools, and Applications (CRESTA)
Lorna Smith, The University of Edinburgh
42,000,000 hours

Earth Sciences

High Frequency Physics-based Earthquake System Simulations
Thomas Jordan, University of Southern California
48,000,000 hours

Advancing Models for Multiphase Flow and Transport in Porous Medium System
James McClure, Virginia Tech
60,000,000 hours

High Resolution Simulation for Climate Means, Variability and Extreme
Mark Taylor, Sandia National Laboratories
100,000,000 hours

Global Seismic Tomography Based on Spectral-Element and Adjoint Methods
Jeroen Tromp, Princeton University
100,000,000 hours

Materials Sciences

Non-Covalent Bonding in Complex Molecular Systems with Quantum Monte Carlo
Dario Alfe, University College London
70,000,000 hours

Scalable First Principles Calculations for Materials at Finite Temperature
Markus Eisenbach, Oak Ridge National Laboratory
150,000,000 hours

Predictive and Insightful Calculations of Energy Materials
Paul Kent, Oak Ridge National Laboratory
50,000,000 hours

QMC Simulations DataBase for Predictive Modeling and Theory
Jeongnim Kim, Oak Ridge National Laboratory
100,000,000 hours

Safety in Numbers: Discovery of New Solid Li-Ion Electrolytes
Boris Kozinsky, Bosch in the USA
60,000,000 hours

Innovative Simulations of High-Temperature Superconductors
Thomas Maier, Oak Ridge National Laboratory
60,000,000 hours

Quantum Monte Carlo Simulations of Hydrogen and Water Ice
Richard Needs, University of Cambridge
55,000,000 hours

Ab Initio Simulations of Carrier Transports in Organic and Inorganic Nanosystems
Lin-Wang Wang, Lawrence Berkeley National Laboratory
25,000,000 hours

Physics

High-Fidelity Simulation of Tokamak Edge Plasma Transport
Choong-Seock Chang, Princeton Plasma Physics Laboratory
129,000,000 hours

Linkages between Turbulence and Reconnection Kinectic Plasmas
William Daughton, Los Alamos National Laboratory
86,000,000 hours

Cosmological Simulations for Large-Scale Sky Surveys
Salman Habib, Argonne National Laboratory
100,000,000 hours

Lattice QCD
Paul Mackenzie, Fermilab
100,000,000 hours

Three-Dimensional Simulations of Core-Collapse Supernovae with Chimera
Eric Lentz, The University of Tennessee
85,000,000 hours

Nuclear Structure and Nuclear Reactions
James Vary, Iowa State University
104,000,000 hours

Probing Dark Matter at Extreme Scales
Michael Warren, Los Alamos National Laboratory
80,000,000 hours

Petascale Simulations of Type 1a Supernovae
Stan Woosley, University of California Santa Cruz
50,000,000 hours