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

DOI10.1016/J.JCP.2006.06.014zbMATH Open1191.70004OpenAlexW1987284299MaRDI QIDQ870543FDOQ870543

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

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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)

Cites Work

• A fast algorithm for particle simulations
• Title not available (Why is that?)
• Algorithmic challenges in computational molecular biophysics
• Parallel atomistic simulations
• Title not available (Why is that?)
• A note on \(N\)-body computations with cutoffs

Cited In (3)

• Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors
• 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

Uses Software

• Gromacs

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