Grand Challenge #11 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 2016–September 2017

Tier I

PI Project Title

Bulatov, Vasily

Metal Strength by Direct MD Simulation

Vranas, Pavlos

The Origins of Matter on Near-Exascale Supercomputing

Tier II

Berger, Richard

Theory and Simulation of Large-Amplitude Electron Plasma and Ion Acoustic Waves with an Innovative 2D+2V Vlasov code

Carpenter, Tim

Simulation of a Complete Bacterial Encapsulin Nanoparticle

Chapman, Thomas

Application-Driven Research into Multi-Scale Modeling of Laser Plasma Interaction

Correa, Alfredo

Non-Adiabatic Dynamics for Electronic Transport and Dissipation in Materials

Draeger, Erik

Assessing peripheral artery disease with hæmodynamic simulations

Ezzedine, Souheil

Toward Exascale Integration and Simulation of Ground Motions and Acoustic Signal from Nuclear and Chemical Explosions in Stochastic Geologic Media

Fattebert, Jean-Luc

Validation and demonstration of O(N) complexity First-Principles Molecular Dynamics for large-scale applications

Glosli, James

Molecular Dynamics Simulation of Plasma Interfaces

Higginson, Drew

Coalescence of Magnetic Filaments in Interpenetrating Plasmas on NIF

Kemp, Andreas

First-Principle Based Modeling of Interpenetrating Plasmas for Near-Vacuum Hohlraums

Lau, Edmond

Modeling Shockwave-Induced Traumatic Brain Injury and Axonal Damage at Atomistic Resolution

Lightstone, Felice

Computational Design of Broadly Neutralizing Vaccines for Highly Mutable Pathogens

Morales-Silva, Miguel

Quantum Monte Carlo Study of Hydrogen at High Pressure

Pask, John

Improving Lithium Ion Batteries from First Principles-Quantum Molecular Dynamics of the Solid Electrolyte Interphase Layer

Pham, Tuan Anh

Unraveling the Electric Double Layer with Enhanced Sampling Ab-initio Molecular Dynamics Simulations

Quaglioni, Sophia /
Ormand, Erich

From Nucleons to Nuclei to Fusion Reactions

Rodgers, Arthur

Rupture-to-Rooftops: 3D Ground Motion Simulations for Large Earthquakes in the San Francisco Bay Area for Seismic Hazard, Structural Engineering and Consequence Management

Schunck, Nicolas

Computing Heavy Nuclei for Nucleosynthesis

Schunck, Nicolas

Probabilistic Modeling for Mega-Bangs and Mini-Bangs

Tummel, Kurt

Multi-Scale Kinetic Modeling of Z-Pinch Fusion Sources

Varley, Joel

High-Throughput Discovery and Optimization of Solid-State Ionic Conductors

Wong, Sergio

Development of a Virtual Human Heart to Predict the Pharmacology of Novel Drugs (In support of LDRD SI Heart Simulation Project)

Zhang, Xiaohua

Joint Design of Advanced Computing Solutions for Cancer