A replicated data molecular dynamics strategy for the parallel Ewald sum

DOI10.1016/0010-4655(92)90048-4MaRDI QIDQ1366127zbMATH OpenOpenAlexFDO

Authors M. García, W. Smith

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

algorithmCoulombic systemsEwald summationlarge ionic systemsmolecular dynamics

Mathematics Subject Classification ID

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

Cited in

(4)

• A massively parallel molecular dynamics algorithm for the MasPar supercomputer
• 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
• DL_POLY: Application to molecular simulation

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