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Basics of Molecular Dynamics Simulations for Beginners

YouTubeMathieu Bauchy

Basics of Molecular Dynamics Simulations for Beginners

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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