NWChem-Ex

Harrison is the chief architect of a new generation of NWChem, a high-performance computational chemistry software package. Funded by the U.S. Department of Energy (DOE), the project targets upcoming exascale computers and aims to improve the scale, performance, accessibility and portability of high-performance computational chemistry. The project centers on improving the universal chemistry code NWChem by redesigning its architecture, with the goal to enhance applications in biomass-based energy production.