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NWChemEx: Tackling Chemical, Materials and Biomolecular Challenges in the Exascale Era

NWChemEx will enhance the popular, PNNL-developed computational chemistry code, NWChem, to dramatically improve its scalability, performance, extensibility, and portability to take full advantage of future exascale computing technologies. PNNL/NIAC is leading this project with Ames, Argonne, Brookhaven, Berkeley, and Oak Ridge national laboratories, as well as Virginia Tech, University of Washington, and the Environmental Molecular Sciences Laboratory NWChem Software Group.

Cloud-Resolving Climate Modeling of the Earth’s Water Cycle

Developing a quality Earth system model with a fully weather-resolving atmosphere and cloud-resolving multiscale modeling framework (MMF) that can run thousands of simulated years and adhere to strict throughput requirements necessary for scientifically valid studies of the Earth’s systems requires a tremendous increase in computational power, achievable only via exascale. Sandia leads the project with national laboratory contributions from Argonne, Los Alamos, Livermore, Oak Ridge, and PNNL, as well as the University of California, Irvine and Colorado State.

Utilizing Exascale Systems to build the Metropolitan Systems Energy and Economic Dynamics (Metro-SEED) Framework

Metro-SEED aims to provide an integrated, multi-sector simulation platform for modeling urban and natural systems, including building energy, transportation, land use, economics, power utilities, and climate. Argonne National Laboratory is leading the project with national laboratory partners Lawrence Berkeley, Oak Ridge, PNNL (NIAC), and NREL.

Exascale Computing Project

High Performance Computing at PNNL