Grand Challenge #10 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 2015–September 2016

Tier I

PI Project Title
Alfredo Correa-Tedesco  Non-Adiabatic Dynamics for Electronic Transport and Electronic Shopping 
Erik Draeger  Patient-Specific Hemodynamic Modeling Using 3D Reconstructions of Single Plan Coronary Angiograms 
Sofia Quaglioni  From Nucleons to Nuclei to Fusion Reactions 
Pavlos Vranas  Illuminating the Dark Universe with PetaFlops Supercomputing 
Sergio Wong  Development of a Virtual Human Heart to Predict Pharmacology of Novel Drugs 

Tier II

Dick Berger  Theory and Simulation of Large-Amplitude Electron Plasma and Ion Acoustic Waves with an Innovative 2D+2V Vlasov Code 
Vasily Bulatov  Crystal Strength by Direct MD Simulation 
Tom Chapman  Application-Driven Research into Multi-Scale Modeling of Laser Plasma Interaction 
Jim Glosli  Molecular Dynamics Simulation of Species Diffusion at Plasma Interfaces 
Drew Higginson  NIF-scale Simulations of Astrophysical Phenomena 
Andreas Kemp  First-Principle Based Modeling of Interpenetrating Plasmas for Near Vacuum Hohlraums 
I Feng Kuo  Predicting Properties of Energetic Molecular Crystals: Computationally Intensive Implementation of Ab Initio Quantum Mechanical Simulations 
Edmond Lau  Simulations of Shockwave-Induced Traumatic Brain Injury at Atomistic Resolution Using High Performance Computing 
Miguel Morales-Silva  Quantum Monte Carlo Study of Hydrogen at High Pressure 
Roman Nazarov  Phase Diagram of Strongly Correlated Iron Oxide with Diffusion Monte Carlo and Dynamical Mean Field Theory 
Tomas Oppelstrup  Mounding and Grain Growth at the Micron Scale 
John Pask  Improving Lithium-Ion Batteries From First Principles: Quantum Molecular Dynamics of the Solid Electrolyte Interphase Layer 
Brenda Rubenstein  Transition Metals Done Right: An AFQMC Study of Transition Metal Oxide Phase Diagrams 
Andrea Schmidt  Advanced Kinetic Z-Pinch Modeling for Compact Fusion 
Nicolas Schunck  Nuclear Fission From Scratch 
Joel Varley  High Throughput Discovery and Optimization of Solid-State Ionic Conductors 
Scott Wilks  Advancing the Physics of Inertial Confinement Fusion 
Xiaohua Zhang  Computational Optimization of Protegrin Antimicrobial Peptides