Molecular Science Software Suite MS3

EMSL's Molecular Science Software Suite MS3 was recognized by R&D Magazine as one of the 100 most technologically significant new products and processes of 1999
molecular science software suite ms3

Project Summary

MS3 is a comprehensive, integrated set of tools that enables scientists to understand complex chemical systems at the molecular level by coupling the power of advanced computational chemistry techniques with existing and rapidly evolving high-performance, massively parallel computing systems. MS3 consists of three components: 1) the Extensible Computational Chemistry Environment (Ecce), 2) the Northwest Computational Chemistry Software (NWChem), and 3) Parallel Software Development Tools (ParSoft).

The award-winning MS3 team included Jeffrey A. Nichols, Donald R. Jones, Robert J. Harrison, Ricky A. Kendall, T. P. Straatsma, Michel Dupuis, Krys P. Wolinski, Edoardo Apra, Jarek Nieplocha, George I. Fann, Rik J. Littlefield, Thomas L. Keller, Karen L. Schuchardt, Gary D. Black, Deborah K. Gracio, and Gregory S. Thomas.

Citation:Molecular Science Computing Facility (mscf.emsl.pnl.gov)
Contact:mscf-consulting@emsl.pnl.gov
File Size (Bytes):20643