An introduction to molecular dynamics simulation

MaRDI QIDQ5482646zbMATH OpenFDO

Authors D. C. Rapaport

Publication date 28 August 2006

Mathematics Subject Classification ID

Research exposition (monographs, survey articles) pertaining to statistical mechanics (82-02) Interacting particle systems in time-dependent statistical mechanics (82C22) Equilibrium statistical mechanics (82B99)

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(8)

• Applications of molecular dynamics simulations
• Introduction to molecular dynamics simulation
• Molecular modeling and simulation. An interdisciplinary guide.
• Computer simulations of molecules and condensed matter. From electronic structures to molecular dynamics
• GPU-accelerated molecular dynamics simulation for study of liquid crystalline flows
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• A foreword to the Molecular Simulation mini-symposium
• Substructured molecular dynamics using multibody dynamics algorithms

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