Analysis of Serial and Parallel Algorithms for Use in Molecular Dynamics.

DOI10.1142/S0129183198000145MaRDI QIDQ4488307zbMATH OpenFDO

Authors A. M. Mazzone

Publication date 5 July 2000

Published in International Journal of Modern Physics C (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1142/S0129183198000145

zbMATH Keywords

crystalline latticesmolecular dynamics simulationsmultistep methodsnumerical examplesparallel computationsemiconductorstability

Mathematics Subject Classification ID

Nonlinear ordinary differential equations and systems (34A34) Numerical methods for initial value problems involving ordinary differential equations (65L05) Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Stability and convergence of numerical methods for ordinary differential equations (65L20) Parallel numerical computation (65Y05) Molecular physics (81V55) Dynamic continuum models (systems of particles, etc.) in time-dependent statistical mechanics (82C21) Statistical mechanics of crystals (82D25) Statistical mechanics of semiconductors (82D37)

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Cites work

• Simple exact test for well-known molecular dynamics algorithms
• Solving Nonstiff Ordinary Differential Equations—The State of the Art

Cited in

(5)

• Simple exact test for well-known molecular dynamics algorithms
• Design and analysis of a parallel molecular dynamics application
• PARALLEL PREDICTOR-CORRECTOR METHODS FOR THE SOLUTION OF ORDINARY DIFFERENTIAL EQUATIONS II
• Analytical and numerical calculations of interatomic forces and stresses
• Substructured molecular dynamics using multibody dynamics algorithms

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