Zhao Jing-song
Abstract
This article discusses the principle of molecular dynamics, interatomic potentials (for example, Lennard-Jones potential), some common finite difference algorithms (such as Verlet algorithm), several molecular dynamics simulation ensembles, and the extraction of useful information.
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This article discusses the principle of molecular dynamics, interatomic potentials (for example, Lennard-Jones potential), some common finite difference algorithms (such as Verlet algorithm), several molecular dynamics simulation ensembles, and the extraction of useful information.
Key concepts: Verlet integration, Molecular dynamics, Statistical physics, Computer science, Dynamics (music), Interatomic potential, Physics, Computational chemistry