A cell multipole based domain decomposition algorithm for molecular dynamics simulation of systems of arbitrary shape

DOI10.1016/S0010-4655(02)00157-1zbMath1012.81515WikidataQ61773823 ScholiaQ61773823MaRDI QIDQ1613702

Jeffry D. Madura, Pasupulati Lakshminarasimhulu

Publication date: 2 September 2002

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

zbMATH Keywords

MPIMolecular dynamicsParallel computingDomain decompositionCell multipole methodNon-periodic boundary conditionsSHMEM

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45)

Cites Work

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