Berkeley Lab


Subsurface transport model, David Trebotich, Berkeley Lab

Subsurface: An Exascale Subsurface Simulator of Coupled Flow, Transport, Reactions and Mechanics is led by Carl Steefel of the Earth and Environmental Sciences Area, with David Trebotich of the Computational Research Division serving as deputy. The project supports application code development for a sound understanding of and predictive capability for the interacting hydrological, chemical, thermal, and mechanical processes in subsurface formations for improved energy extraction and safely storing CO2 and other wastes. Lawrence Livermore National Laboratory and the National Energy Technology Laboratory also participate in the project. Chombo-Crunch, the underlying application code, is one of the codes targeted by the NESAP program and incorporates AMR.

Visualization of electron surfing on laser-plasma wave in a "moving frame" of reference.

Accelerator model by Jean Luc Vay, Berkeley Lab

WarpX: Exascale Modeling of Advanced Particle Accelerators is led by Jean-Luc Vay of the Accelerator Technology and Applied Physics Division. Particle accelerators are a vital part of the DOE-supported infrastructure of discovery science and university research. Accelerators also have private-sector applications and a broad range of benefits to industry, security, energy, the environment, and medicine. This project supports the practical economic design of smaller, less-expensive plasma-based accelerators. Turning this from a promising technology into a mainstream scientific tool depends critically on high-performance, high-fidelity modeling of complex processes that develop over a wide range of space and time scales. Lawrence Livermore National Laboratory and the SLAC National Accelerator Laboratory also participate in the project. Vay also leads the NESAP project on Advanced Modeling of Particle Accelerators. This project also incorporates AMR in collaboration with the AMR-X Co-Design Center, led by John Bell at Berkeley Lab.

Supernova model, Daniel Kasen, Berkeley Lab

ExaStar: Exascale Models of Stellar Explosions: Quintessential Multi-Physics Simulation is led by Daniel Kasen of the Nuclear Science Division with support from Argonne and Oak Ridge national laboratories and Stony Brook University. The project aims to explore the origin of chemical elements resulting from exploding stars and other astrophysical phenomena.

Courtesy DOE Joint Genome Institute

ExaBiome: Exascale Solutions for Microbiome Analysis is led by Associate Lab Director for Computing Sciences Kathy Yelick, with support from Los Alamos National Laboratory and DOE’s Joint Genome Institute. The project uses machine learning algorithms and a high-performance metagenome assembler based on the Meraculous application to study microbial diversity with the goal of developing new products and identifying new life forms. Meraculous is a NESAP application.

Regional estimate of earthquake damage.

EQSIM: High Performance, Multidisciplinary Simulations for Regional Scale Seismic Hazard and Risk Assessments is led by David McCallen of Earth and Environmental Sciences with participation from Lawrence Livermore National Laboratory, the University of California at Davis and UC Berkeley.

Berkeley Lab is also participating in these four-year projects:

ExaSky: Computing the Sky at Extreme Scales, led by Argonne National Laboratory will support cosmological research in the Standard Model of Particle Physics, including dark matter, dark energy and inflation of the universe. This is another project incorporating AMR, and both the HACC (Hardware/Hybrid Accelerated Cosmology Code) and Nyx (developed at Berkeley Lab) codes are part of NESAP projects.

NWChemEx: Tackling Chemical, Materials and Biomolecular Challenges in the Exascale Era, led by Pacific Northwest National Laboratory, will advance the NWChem computational chemistry application, which is used in areas ranging from designing catalysts for biofuels to developing stress-resistant crops. NWChem is one of the applications targeted by NESAP.

Visualization of combustion simulation using Pele-M

Model of flame using diesel surrogate. Marcus Day, Berkeley Lab

Combustion-Pele: Transforming Combustion Science and Technology with Exascale Simulations, led by Sandia National Laboratories, will use computer simulations to design high-efficiency, low-emission combustion engines and gas turbines to reduce emissions and improve fuel efficiency. This project also incorporates AMR.

ExaFEL: Data Analytics at the Exascale for Free Electron Lasers, led by the SLAC National Accelerator Laboratory, will support research in protein structures and dynamics and 3D molecular structure design of engineering functional properties. This project will work closely with Berkeley Lab’s Center for Advanced Mathematics for Energy Research Applications (CAMERA) and ESnet, DOE’s high-speed network. The project will build on a prior demonstration project between NERSC, ESnet, and SLAC.

A Chemical looping reactor used in carbon capture and sequestration

MFiX-Exa: Performance Prediction of Multiphase Energy Conversion Devices, led by the National Energy Technology Laboratory, is concerned with high-fidelity modeling capability to guide the scale-up of laboratory designs of multiphase chemical looping reactors to industrial size. This effort is required to impact design decisions and drive large-scale commercial deployment of carbon capture and storage (CCS) and meet the U.S. Department of Energy’s CCS goals. The new MFiX-Exa code is based on the AMReX software framework supported by the LBL-led AMReX Co-Design Center.

Urban: Multiscale Coupled Urban Systems, led by Argonne National Laboratory, is centered on integrating modules for urban atmosphere and infrastructure heat exchange and air flow; building energy demand at district or city-scale, generation, and use; urban dynamics and activity-based decision, behavioral, and socioeconomic models; population mobility and transportation; energy systems; and water resources.