Ames Laboratory Awarded Two ECP Projects
Ames Laboratory will contribute its expertise to two projects funded by the U.S. Department of Energy’s Exascale Computing Project, which was launched to improve and update all aspects of the nation’s computational capabilities in preparation for the next generation of supercomputers.
Ames Laboratory scientist Mark Gordon, also the Francis M. Craig Distinguished Professor of Chemistry at Iowa State University, will lead the laboratory’s project to update GAMESS, (General Atomic and Molecular Electronic Structure System), a freely available computational chemistry software program that Gordon, many members of his group, and colleagues around the world have developed, for the future of exascale computing. GAMESS has 150,000 users in over 100 countries.
Theresa Windus, an Ames Laboratory scientist and professor in the Department of Chemistry at Iowa State University, is part of the GAMESS ECP team and has also been named deputy director of a project team led by Pacific Northwest National Laboratory to update NWChem, another computational chemistry software package, originally developed at that laboratory.Topics: Software Technology