Ordinary differential equations of molecular dynamics

DOI10.1016/0898-1221(94)00199-5MaRDI QIDQ1339290zbMATH OpenOpenAlexFDO

Authors J. Andrew McCammon, B. Montgomery Pettitt, L. Ridgway Scott

Publication date 9 February 1995

Published in Computers & Mathematics with Applications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/0898-1221(94)00199-5

zbMATH Keywords

algorithmsatomic simulationsmethod of molecular dynamicsNewtonian dynamicsparallel computation

Mathematics Subject Classification ID

Nonlinear ordinary differential equations and systems (34A34) Numerical methods for initial value problems involving ordinary differential equations (65L05) Parallel numerical computation (65Y05)

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Cites work

• Analysis of the backward-euler/langevin method for molecular dynamics
• Can classical equations simulate quantum-mechanical behavior? a molecular dynamics investigation of a diatomic molecule with a morse potential
• scientific article; zbMATH DE number 434551 (Why is no real title available?)
• scientific article; zbMATH DE number 434564 (Why is no real title available?)
• scientific article; zbMATH DE number 17985 (Why is no real title available?)
• scientific article; zbMATH DE number 44365 (Why is no real title available?)
• scientific article; zbMATH DE number 46777 (Why is no real title available?)
• Molecular dynamics by the Backward‐Euler method
• The automatic integration of ordinary differential equations

Cited in

(11)

• Simple exact test for well-known molecular dynamics algorithms
• A fast recursive algorithm for molecular dynamics simulation
• Galilei invariant molecular dynamics
• On the mathematical justification of experimental and computer physics
• Molecular Dynamics as a Mathematical Mapping. II. Partial Derivatives in the Microcanonical Ensemble
• Introduction to algorithms for molecular simulations.
• scientific article; zbMATH DE number 1163497 (Why is no real title available?)
• scientific article; zbMATH DE number 2171420 (Why is no real title available?)
• Kinetic equation for spatially averaged molecular dynamics
• MOLECULAR DYNAMICS SIMULATIONS THROUGH SYMBOLIC PROGRAMMING
• Partial differential equations and stochastic methods in molecular dynamics

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