A replicated data molecular dynamics strategy for the parallel Ewald sum

DOI10.1016/0010-4655(92)90048-4zbMath0875.65014OpenAlexW2055055200MaRDI QIDQ1366127

M. García

Publication date: 29 October 1997

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

Full work available at URL: https://doi.org/10.1016/0010-4655(92)90048-4

zbMATH Keywords

algorithmmolecular dynamicsEwald summationCoulombic systemslarge ionic systems

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Parallel numerical computation (65Y05) Molecular physics (81V55)

Related Items (4)

DL_POLY: Application to molecular simulation ⋮ Calculating short range forces on a massively parallel computer: SPH on the Connection Machine ⋮ Molecular dynamics and lattice gas parallel algorithms for transputers and networked workstations ⋮ A massively parallel molecular dynamics algorithm for the MasPar supercomputer

Cites Work

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