2015 INCITE Projects

Biology

Characterizing Large-Scale Structural Transitions in Membrane Transporters
Emad Tajkhorshid, University of Illinois at Urbana-Champaign
96,000,000 hours

Multiscale Simulations of Human Pathologies
George Karniadakis, Brown University
70,000,000 hours

Shutdown and Recovery of the Barrier Function of Human Skin
Michael Klein, Temple University
92,000,000 hours

Designing O2 Tolerant Hydrogenases
Vijay Pande, Stanford University
13,000,000 hours

Simulation of Fundamental Energy Conversion Processes in the Cell
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 Jørgensen, Aarhus University
48,000,000 hours

Computer Science

Performance Evaluation and Analysis Consortium (PEAC) End Station
Leonid Oliker, Lawrence Berkley National Laboratory
90,000,000 hours

Earth Sciences

Accelerated Climate Modeling for Energy
Mark Taylor, Sandia National Laboratories
50,000,000 hours

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

Global Adjoint Tomography
Jeroen Tromp, Princeton University
50,000,000 hours

High Frequency Ground Motion Simulation for Seismic Hazard Analysis
Thomas Jordan, Southern California Earthquake Center
167,000,000 hours

Engineering

High-Fidelity Simulations of Gas Turbine Stages with GPU Acceleration
Vittorio Michelassi, General Electric Company
40,000,000 hours

Materials Sciences

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

Non-covalent Bonding in Complex Molecular Systems with Quantum Monte Carlo
Dario Alfe, University College London
148,000,000 hours

Nucleation and Growth of Colloidal Crystals Using Highly Scalable Monte Carlo
Sharon Glotzer, University of Michigan
55,000,000 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
David Ceperley, University of Illinois at Urbana-Champaign
185,000,000 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
80,000,000 hours

Physics

High-Fidelity Simulation of Tokamak Edge Plasma Transport
Choong-Seock Chang, Princeton Plasma Physics Laboratory
270,000,000 hours

Linkages between Turbulence and Reconnection Kinetic Plasmas
William Daughton, Los Alamos National Laboratory
60,000,000 hours

Cosmological Simulations for Large-Scale Sky Surveys
Salman Habib, Argonne National Laboratory
160,000,000 hours

Lattice QCD
Paul Mackenzie, Fermilab
280,000,000 hours

Nuclear Structure and Nuclear Reactions
James Vary, Iowa State University
204,000,000 hours

Approaching Exascale Models of Astrophysical Explosions
Michael Zingale, Stony Brook University
50,000,000 hours

Targeting Cancer with High Power Lasers
Michael Bussmann, Helmholtz-Zentrum Dresden-Rossendorf
57,000,000 hours

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