A multiple time-step method for molecular dynamics simulations of fluids of chain molecules

DOI10.1016/0021-9991(84)90042-1zbMath0524.76075OpenAlexW1983446277MaRDI QIDQ585036

R. D. Swindoll, J. M. Haile

Publication date: 1984

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

Full work available at URL: https://doi.org/10.1016/0021-9991(84)90042-1

zbMATH Keywords

molecular dynamics simulationsfluid alkanesmultiple time step methodn-butanepair distribution

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Rarefied gas flows, Boltzmann equation in fluid mechanics (76P05) Basic methods in fluid mechanics (76M99)

Related Items (2)

An improved unified solver for compressible and incompressible fluids involving free surfaces. II. Multi-time-step integration and applications ⋮ Masking resonance artifacts in force-splitting methods for biomolecular simulations by extrapolative Langevin dynamics

Cites Work

• The automatic integration of ordinary differential equations

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