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• W2079460031 abstract "The implementation of parallel molecular dynamics techniques is discussed in the context of the simulation of single-site anisotropic potentials. We describe the use of both replicated data and domain decomposition approaches to molecular dynamics and present results for systems of up to 65536 Gay-Berne molecules on a range of parallel computers (Transtech i860/XP Paramid, Intel iPSC/860 Hypercube, Cray T3D). We find that excellent parallel speed-ups are possible for both techniques, with the domain decomposition method found to be the most efficient for the largest systems studied. © 1997 by John Wiley & Sons, Inc." @default.
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• W2079460031 date "1997-03-01" @default.
• W2079460031 modified "2023-09-23" @default.
• W2079460031 title "Replicated data and domain decomposition molecular dynamics techniques for simulation of anisotropic potentials" @default.
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• W2079460031 doi "https://doi.org/10.1002/(sici)1096-987x(199703)18:4<478::aid-jcc3>3.0.co;2-q" @default.
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