A new algorithm for molecular dynamics calculations

DOI10.1016/0021-9991(82)90093-6zbMath0489.65050OpenAlexW2074674667MaRDI QIDQ1166903

Soren Toxvaerd

Publication date: 1982

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

Full work available at URL: https://doi.org/10.1016/0021-9991(82)90093-6

zbMATH Keywords

Verlet algorithmequations of motion for particlesmolecular dynamics techniquethird- order predictor

Mathematics Subject Classification ID

Numerical methods for initial value problems involving ordinary differential equations (65L05) Molecular physics (81V55)

Related Items (3)

Review of explicit Falkner methods and its modifications for solving special second-order I.V.P.S ⋮ An Iterative Variable-timestep Algorithm for Molecular Dynamics Simulations ⋮ Statistical error methods in computer simulations

Cites Work

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