Grand Challenge #6 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 14, 2011–November 14, 2012

 

Tier I

PI Project Title Host Allocation
(kCore-Hrs/Week)
Allocation
(kCore-Hrs)
Correa, Alfredo First-Principles Calculations of Radiation Damage and Electronic Stopping via Time-Dependent Density Functional Theory Sierra 200 10400
Kemp, Andreas Large-Scale Modeling of Intense Short-Pulse Laser Interaction for HEDLP and Fast Ignition Sierra 200 10400
Lightstone, Felice Complete Mechanistic Understanding of Small Molecule Binding to Acetylcholinesterase and the Neuronal Receptors: Free Energy Calculations for Future Drug Design Sierra 200 10400
Ogitsu, Tadashi Reactivity and Stability of Water–Semiconductor Interfaces for Photocatalytic Water Splitting Using ab-initio Molecular Dynamics Sierra 200 10400
Vranas, Pavlos Unlocking the Universe with HPC uBGL 1200 62400

Tier II

Bonev, Stanimir Unraveling Core Electron Chemistry in Materials under Extreme Pressure Sierra 50 2600
Carpenter, Timothy Opening of the Glutamate Receptor Channel via Steered Molecular Dynamics and the Nudged Elastic Band Method Sierra 50 2600
DuBois, Jonathan Benchmarking the Finite Temperature Homogeneous Electron Gas Sierra 50 2600
Goldman, Nir Quantum Simulations of Polymer Capsule Release into NIF Targets Sierra 50 2600
Klein, Richard/
Tannahill, John
The Advance of Uncertainty-Quantification Science with Application to Climate Modeling Sierra 50 2600
Kramer, Kevin High Fidelity Burnup Analysis, Fuel Performance and Sensitivity Analysis for Laser Inertial Fusion Energy (LIFE) Sierra 50 2600
Lightstone, Felice/
Wong, Sergio
Computational Advancements toward Faster, Cheaper and Safer Medical Countermeasure Development Sierra 50 2600
Link, Anthony Revolutionizing Laser Positron Physics Sierra 50 2600
Mirin, Art Very-High-Resolution Simulations of Sea Salt–Climate Interactions Sierra 50 2600
Morales, Miguel Quantum Monte Carlo Study of Hydrogen at High Pressure Sierra 50 2600
Olivier, Scot/
Nikolaev, Sergei
High-Fidelity Kessler Syndrome Simulations Sierra 50 2600
Ormand, Erich From Nucleons to Nuclei to Fusion Reactions Sierra 50 2600
Soderlind, Per Temperature Dependent Lattice Dynamics and Stabilization of High-Temperature Phases from First-Principles Theory Sierra 50 2600
Weisgraber, Todd Addressing Fundamental Problems in Turbulent Flows using High Performance Computing Sierra 50 2600
 
Totals   Sierra 1500 78000
uBGL 1200 62400