Introduction to molecular dynamics simulation

MaRDI QIDQ2917743zbMATH OpenFDO

Authors Hemant Kumar, Prabal K. Maiti

Publication date 1 October 2012

zbMATH Keywords

molecular dynamicsEwald sumleap-frog algorithmSHAKE 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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• Fluctuations in molecular dynamics simulations
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• Molecular dynamics simulation of strongly correlated dusty plasmas
• The Art of Molecular Dynamics Simulation
• Introduction to molecular dynamics
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• Empirical Molecular Dynamics: Possibilities, Requirements, and Limitations
• Computer simulation of the atomic behaviour in condensed phases

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