Simple exact test for well-known molecular dynamics algorithms

DOI10.1016/0021-9991(87)90148-3zbMath0642.65005OpenAlexW2080697316MaRDI QIDQ1101178

G. D. Venneri, William G. Hoover

Publication date: 1987

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

Full work available at URL: https://doi.org/10.1016/0021-9991(87)90148-3

zbMATH Keywords

modellingnumerical experimentsmolecular dynamicscondensed matter physics

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Molecular physics (81V55)

Related Items

Common molecular dynamics algorithms revisited: Accuracy and optimal time steps of Störmer-Leapfrog integrators, Analysis of Serial and Parallel Algorithms for Use in Molecular Dynamics.

Cites Work

• Deterministic Nonperiodic Flow
• On the Numerical Integration of Certain Differential Equations of the Second Order
• The automatic integration of ordinary differential equations
• Comparing Numerical Methods for Ordinary Differential Equations