(September 15, 2016) Prof. Ed Valeev's Group
will contribute to a $10M+, 4-year project funded by the US Department of Energy as part of the National Exascale Computing Project
. The NWChemEx team, composed of computational chemists, computer scientists, and applied mathematicians (and led by Dr. Thom Dunning
at the Pacific Northwest National Lab) will redesign the popular computational chemistry code, NWChem
, to run on the exascale high-performance computer systems planned for deployment after year 2020. The term exascale
refers to a billion billion arithmetic operations per second, or a factor of 50 to 100 times faster than the nation’s most powerful supercomputers in use today. NWChemEx is expected to serve as the next-generation fully-featured molecular modeling package, scalable from a laptop to the largest computers of tomorrow.