Parallel molecular dynamics simulation; Implementation of PVM for a lipid membrane

DOI10.1016/S0010-4655(98)00089-7zbMath1006.81563OpenAlexW2037616163MaRDI QIDQ1611945

A. D. J. Haymet, Susumu Okazaki, Zhiwu Fang, Wataru Shinoda

Publication date: 28 August 2002

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(98)00089-7

zbMATH Keywords

distributed memory architecturecalculation of intermolecular forcesinterprocessor communicationsisothermal-isobaric ensemble

Mathematics Subject Classification ID

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

Related Items (1)

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

Cites Work

• A study of parallel molecular dynamics algorithms for \(N\)-body simulations on a transputer system
• Molecular dynamics simulations on distributed memory machines
• The automatic integration of ordinary differential equations
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