Project Description

The NWChemEx project will redesign the architecture of NWChem to work with the pre-exascale and exascale computers to be deployed at U.S. Department of Energy Leadership Computing Facilities and the National Energy Research Scientific Computing Center. Initially, NWChemEx will target developing high-performance computational models for the production of advanced biofuels and other bioproducts—a highly important DOE mission need driven by energy and climate issues.