Introduction to molecular dynamics simulation

MaRDI QIDQ2917743zbMATH OpenFDO

Authors Hemant Kumar, Prabal K. Maiti

Publication date 1 October 2012

zbMATH Keywords

Ewald sumleap-frog algorithmmolecular dynamicsSHAKE algorithm

Mathematics Subject Classification ID

Finite difference and finite volume methods for ordinary differential equations (65L12) Interacting particle systems in time-dependent statistical mechanics (82C22) Statistical mechanics of nanostructures and nanoparticles (82D80)

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• scientific article; zbMATH DE number 1595160 (Why is no real title available?)
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• Applications of molecular dynamics simulations
• Molecular dynamics simulation and local quantities
• Empirical Molecular Dynamics: Possibilities, Requirements, and Limitations
• scientific article; zbMATH DE number 1163497 (Why is no real title available?)
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• Computer simulation of the atomic behaviour in condensed phases
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• Introduction to molecular dynamics
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• scientific article; zbMATH DE number 956626 (Why is no real title available?)
• The Art of Molecular Dynamics Simulation
• Fluctuations in molecular dynamics simulations

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