Coupled cluster algorithms for networks of shared memory parallel processors

DOI10.1016/J.CPC.2007.03.001zbMath1196.81052OpenAlexW2025200641MaRDI QIDQ710043

Michael W. Schmidt, Mark S. Gordon, Ricky A. Kendall, Jonathan L. Bentz, Ryan M. Olson

Publication date: 18 October 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2007.03.001

zbMATH Keywords

parallel algorithmselectronic structure calculationscoupled cluster algorithmshybrid programming

Mathematics Subject Classification ID

Parallel algorithms in computer science (68W10) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Uses Software

• GAMESS
• NWChem

Cites Work

• The distributed data interface in GAMESS
• High performance computational chemistry: An overview of NWChem a distributed parallel application

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