High performance computational chemistry: An overview of NWChem a distributed parallel application

• 1 June 2000
• journal article
• Published by Elsevier in Computer Physics Communications
• Vol. 128  (1-2) , 260-283
• https://doi.org/10.1016/s0010-4655(00)00065-5

Abstract

Keywords

• 31.10
• 31.15
• 31.15.A
• 31.15.Q
• PARALLEL COMPUTATIONAL CHEMISTRY
• ELECTRONIC STRUCTURE
• MOLECULAR DYNAMICS
• DISTRIBUTED TOOLS
• PORTABILITY

All Related Versions

• Version 1, 2020-04-25, ArXiv
• Version 2, 2020-04-28, ArXiv