2017 INCITE Projects

BIOLOGY

All-Atom Simulations of Photosynthetic and Respiratory Energy Conversion
Klaus Schulten, University of Illinois at Urbana-Champaign
100,000,000 hours

A Generic Plant Cell Wall and Its Deconstruction for Bioenergy
Jeremy C. Smith, Oak Ridge National Laboratory
100,000,000 hours

Unraveling Autoimmune Diseases with Adaptive Protein Simulation
Cecilia Clementi, Rice University
65,000,000 hours

Determining the Role of AcrA in the Bacterial Multidrug Efflux Pump
James Gumbart, Georgia Tech
38,000,000 hours

CHEMISTRY

DNS of Turbulent Multi-Phase Combustion Underlying Efficient Flexible Engines
Jacqueline Chen, Sandia National Laboratories
50,000,000 hours

Next-Generation Nanostructured Polymer Electrolytes by Molecular Design
Thomas Miller, California Institute of Technology
50,000,000 hours

Reliable Predictions of Actinide Chemistry at Different Scales
David Dixon, University of Alabama
100,000,000 hours

Pushing the Limits of Quantum Chemistry Using the Supercomputers of Tomorrow
Poul Jørgensen, Aarhus University
75,000,000 hours

ENGINEERING

High-Order Methods for LES of Turbomachinery Flows
Gorazd Medic, United Technologies Research Center
35,000,000 hours

Petascale Simulations of Short Pulse Laser Interaction with Metals
Leonid Zhigilei, University of Virginia
20,000,000 hours

On the Physics of Three-Dimensional Unsteady Flow Over Low Pressure Turbines
Peter Vincent, Imperial College
100,000,000 hours

Safe Fusion Energy: Predictively Modeling ITER Radiation Shielding
Seth Johnson, Oak Ridge National Laboratory
80,000,000 hours

Strained Magnetohydrodynamic Turbulence and Mixing at High Schmidt Number
Pui-Kuen Yeung, Georgia Tech
85,000,000 hours

GEOSCIENCES

Quantification of Uncertainty in Seismic Hazard Using Physics-Based Simulations
Thomas H. Jordan, University of Southern California
96,000,000 hours

Global Adjoint Tomography
Jeroen Tromp, Princeton University
80,000,000 hours

Advancing Models for Multiphase Flow and Transport in Porous Medium Systems
James McClure, Virginia Tech
115,000,000 hours

Accelerated Climate Modeling for Energy
Mark Taylor, Sandia National Laboratories
150,000,000 hours

MATERIALS SCIENCES

Advanced Quantum Monte Carlo Simulations of Iron-Based Superconductors
Thomas Maier, Oak Ridge National Laboratory
40,000,000 hours

Nucleation and Growth of Colloidal Crystals
Sharon Glotzer, University of Michigan
100,000,000 hours

Simulations of Dense Hydrogen and Helium
David Ceperley, University of Illinois, Urbana-Champaign
42,000,000 hours

First-Principles-Based Statistical Physics of Alloys and Functional Materials
Markus Eisenbach, Oak Ridge National Laboratory
100,000,000 hours

Predictive Simulations of Functional Materials
Paul Kent, Oak Ridge National Laboratory
40,000,000 hours

Many-Body Theory of Materials
Fernando Reboredo, Oak Ridge National Laboratory
50,000,000

COMPUTER SCIENCE

Performance Evaluation and Analysis Consortium (PEAC) End Station
Leonid Oliker, Lawrence Berkeley National Laboratory
35,000,000 hours

PHYSICS

Revealing the Physics of Galactic Winds with Petascale GPU Simulations
Brant Robertson, University of California, Santa Cruz
46,000,000 hours

Approaching Exascale Models of Astrophysical Explosions
Michael Zingale, Stony Brook University
45,000,000 hours

Dynamics of Magnetic Fields in High-Energy-Density Plasmas
Amitava Bhattacharjee, Princeton Plasma Physics Laboratory
65,000,000 hours

Nuclear Structure and Nuclear Reactions
James Vary, Iowa State University
90,000,000 hours

Parton Distribution Functions from Lattice QCD
Constantia Alexandrou, The Cyprus Institute and University of Cyprus
50,000,000 hours

Understanding How Multiscale Transport Determines Confinement in Burning Plasmas
Christopher Holland, University of California, San Diego
100,000,000 hours

Lattice QCD
Paul Mackenzie, Fermilab
108,000,000 hours

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