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

DOI10.1016/J.JCP.2006.06.014MaRDI QIDQ870543zbMATH OpenOpenAlexFDO

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

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

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

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Cites work

• scientific article; zbMATH DE number 5345747 (Why is no real title available?)
• scientific article; zbMATH DE number 41859 (Why is no real title available?)
• A fast algorithm for particle simulations
• A note on \(N\)-body computations with cutoffs
• Algorithmic challenges in computational molecular biophysics
• Parallel atomistic simulations

Cited in

(3)

• A note on \(N\)-body computations with cutoffs
• Shift/collapse on neighbor list (SC-NBL): fast evaluation of dynamic many-body potentials in molecular dynamics simulations
• Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors

Describes a project that uses

Uses Software

• Gromacs

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