The Extended Eighth-Shell method for periodic boundary conditions with rotational symmetry

Published 2021. This article is a U.S. Government work and is in the public domain in the USA.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 42(2021), 19 vom: 15. Juli, Seite 1373-1383
1. Verfasser: Prasad, Samarjeet (VerfasserIn)
Weitere Verfasser: Simmonett, Andrew C, Meana-Pañeda, Rubén, Brooks, Bernard R
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2021
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, N.I.H., Intramural CHARMM Eighth-Shell method Extended Eighth-Shell method P21 periodic boundary conditions domain decomposition high performance computing lipid simulations Lipid Bilayers Lipids