Ordinary differential equations of molecular dynamics

DOI10.1016/0898-1221(94)00199-5zbMath0806.65071OpenAlexW1967335970MaRDI QIDQ1339290

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

algorithmsparallel computationNewtonian dynamicsmethod of molecular dynamicsatomic simulations

Mathematics Subject Classification ID

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

Cites Work

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• 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
• Molecular dynamics by the Backward‐Euler method
• The automatic integration of ordinary differential equations

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