Zonal methods for the parallel execution of range-limited \(N\)-body simulations

DOI10.1016/J.JCP.2006.06.014zbMath1191.70004OpenAlexW1987284299MaRDI QIDQ870543

David E. Shaw, Ron O. Dror, Kevin J. Bowers

Publication date: 13 March 2007

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2006.06.014

zbMATH Keywords

molecular dynamics simulationinter-processor data transferpairwise particle interactions

Mathematics Subject Classification ID

Computational methods for problems pertaining to mechanics of particles and systems (70-08) Parallel numerical computation (65Y05) (n)-body problems (70F10)

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Uses Software

• Gromacs

Cites Work

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• Algorithmic challenges in computational molecular biophysics
• Parallel atomistic simulations
• A note on \(N\)-body computations with cutoffs
• A fast algorithm for particle simulations

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