Grand Challenge #5 Awardees

The Computing Grand Challenge Program allocates significant quantities of institutional computational resources to LLNL researchers to perform cutting edge research on the LC capability computers. Proposals are reviewed by a lab-wide committee of researchers on the basis of the expected visibility and impact of the computational approach and anticipated scientific results. Most projects selected for Grand Challenge are awarded Tier 2 allocations, which corresponds to a substantial allocation on LC capability machines. A small number of highly-scored proposals are awarded larger Tier 1 allocations each year to showcase the highest visibility computational science currently being conducted at LLNL.

November 19, 2010–November 18, 2011

 

Tier I

PI Project Title Host Allocation
(kCPU-Hrs/Week)
Allocation
(kCPU-Hrs)
Kemp, Andreas Large-Scale Modeling of Intense Short-Pulse Laser Interaction for HEDLP and Fast Ignition Sierra 200 10400
Ormand, Erich From Nucleons to Nuclei to Fusion Reactions Sierra 200 10400
Rudd, Robert Predicting Ramp Wave Plasticity from Using Quantum-based MD uBGL 1200 62400
Vranas, Pavlos Unlocking the Universe with HPC uBGL 1200 62400
Wilks, Scott C. Positron and Electron Generation by an Intense Laser Illuminating a Solid Target Sierra 200 10400

Tier II

Belak, James Stability and Evolution of Nuclear Fuels and Materials under Irradiation: A Meso-scale Phase-field Simulation Coupling Microstructure, Composition, and Phase Evolution under Extreme Radiation and Thermal Conditions Sierra 50 2600
Bulatov, Vasily Atomistic Simulations of Radiation Damage in Amorphous Metal Alloys uBGL 300 15600
Carpenter, Timothy Opening of the Glutamate Receptor Channel via Steered Molecular Dynamics and the Nudged Elastic Band Method Sierra 50 2600
Chuang, Cathy Very-High-Resolution Atmospheric Simulations with Interactive Chemistry and Sectional Aerosol Microphysics Sierra 50 2600
DuBois, Jonathan Achieving Chemical Accuracy uBGL 300 15600
Hamel, Sebastian Properties of Complex Mixtures under High Pressure Sierra 50 2600
Hood, Randolph Quantum Monte Carlo Calculations of Defects in Metals uBGL 300 15600
Kramer, Kevin High Fidelity Burnup Analysis, Fuel Performance and Sensitivity Analysis for Laser Inertial Fusion Energy (LIFE) Sierra 50 2600
Lightstone, Felice First-Principles Carbon Capture Catalyst Design: An Iterative Approach uBGL 300 15600
Kuo, Will First-Principles Simulations of CWA Interactions with Engineered Surfaces uBGL 300 15600
Latkowski, Jeff Dynamic Chamber Processes for LIFE uBGL 300 15600
Lightstone, Felice Complete Mechanistic Understanding of Small Molecule Binding to Acetylcholinesterase and the Neuronal Receptors: Free Energy Calculations for Future Drug Design uBGL 300 15600
Ogitsu, Tadashi Reactivity and Stability of Water-Semiconductor Interfaces for Photocatalytic Water Splitting Using Ab-Initio Molecular Dynamics Sierra 50 2600
Rodgers, Arthur Advanced Simulation of Seismic Wave Generation and Propagation for Nuclear Explosion Monitoring Sierra 50 2600
Yang, Lin Understanding Fracture Behaviors in Nanocrystalline Ni and Silica Glass Sierra 50 2600
Younes, Walid Nuclear Fission on a Grand Computational Scale Sierra 50 2600
 
Totals   Sierra   54600
uBGL   234000