Simple exact test for well-known molecular dynamics algorithms

DOI10.1016/0021-9991(87)90148-3MaRDI QIDQ1101178zbMATH OpenOpenAlexFDO

Authors G. D. Venneri, Wm. 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)

Recommendations

• Molecular dynamics on vector computers
• Analysis of Serial and Parallel Algorithms for Use in Molecular Dynamics.
• Ordinary differential equations of molecular dynamics
• scientific article; zbMATH DE number 5262919
• On the mathematical justification of experimental and computer physics

Cites work

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

Cited in

(8)

• Analysis of Serial and Parallel Algorithms for Use in Molecular Dynamics.
• Introduction to algorithms for molecular simulations.
• Common molecular dynamics algorithms revisited: Accuracy and optimal time steps of Störmer-Leapfrog integrators
• scientific article; zbMATH DE number 2100391 (Why is no real title available?)
• scientific article; zbMATH DE number 5262919 (Why is no real title available?)
• On the mathematical justification of experimental and computer physics
• Efficiency of classical molecular dynamics algorithms on supercomputing hardware
• Ordinary differential equations of molecular dynamics

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