Grand Challenge #8 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.

October 2013–September 2014

Tier I

PI Project Title Sierra
Draeger, Erik Using HPC for Predictive Cardiotoxicity Risk Assessment   1200
Lightstone, Felice Computational Advancements toward Faster, Cheaper and Safer Medical Countermeasure Development 150 600
Vranas, Pavlos Illuminating the Dark Universe with PetaFlops Supercomputing   1200
Wong, Sergio Winning the War Against Antibacterial Resistance Using HPC 300  

Tier II

Berger, Richard Theory and Simulation of Large-Amplitude Electron Plasma and Ion Acoustic Waves with an Innovative 2D+2V Vlasov code 100  
Correa, Alfredo Non-Adiabatic Electron–Nuclear Dynamics for Light-Matter and Ion-Matter Interaction   400
Fattebert, Jean-Luc O(N) Complexity First-Principles Molecular Dynamics for Large-Scale Applications in Material Sciences and Biology   400
Fiuza, Frederico Unveiling the Generation and Amplification of Cosmic Magnetic Fields-from Laboratory to Atrophysics in Silico   400
Kuo, Will Predicting Equation of States of Energetic Molecular Crystals   400
McMinis, Jeremy Ab Initio Exploration of Bonding Patterns in the Lanthanides for Efficient Rare Earth Ore Separation   400
Miller, Wayne Large Scale Simulation of Wind Farm Aerodynamics in Turbulent Atmospheric Inflow Conditions   400
Morales, Miguel Quantum Monte Carlo Study of Hydrogen at High Pressure   400
Pask, John Improving Lithium Ion Batteries from First Principles   400
Quaglioni, Sofia From Nucleons to Nuclei to Fusion Reactions 100  
Randles, Amanda Toward Coupled Multiphysics Models of the Mechanics Driving Cancer Metastasis   400
Rudd, Robert Ultrafast Plasticity and Phase Change in Dynamically Compressed Metals   400
Schmidt, Andrea Fully Kinetic Simulations of a Dense Plasma Focus (DPF) Z-Pinch for Compact Fusion 100  
Schneider, Michael Exploring Dark Energy Models through Cosmological Simulation   400
Schunck, Nicolas Nuclear Fission on a Grand Computational Scale 100  
Schunck, Nicolas Beyond Livermorium—Where Does the Periodic Table of Elements End? 100  
Wilks, Scott Kinetic and Field Effects on Dense Multispecies Plasmas 100  
Wood, Brandon First Principles Electrochemistry-Direct Simulation of the Electrochemical Double Layer Using Ab-Initio Molecular Dynamics 100