Basics of Molecular Dynamics Simulations for Beginners
Mathieu Bauchy Mathieu Bauchy
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 Published On Apr 2, 2018

This video introduces the very basics of molecular dynamics (MD) simulations—the most popular technique to simulate the dynamics of atoms and molecules. We review the concepts of interatomic potential (energy of interaction between atoms) or forcefield, molecular dynamics iterative algorithm, time discretization, and numerical integration.

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