MD time propagation algorithm & Velocity Verlet | Molecular simulations

In this video I will explain what a time propagation algorithm is, how to chose one and describe Velocity Verlet in more detail. A time propagation algorithm is an algorithm that propagates time, positions, and velocities in a MD program. Choosing a random one could bring you to quite unwanted results, but no one is intrinsically better than the others (like a bit everything in computational sciences).

This video appeals to anyone who is introducing himself to molecular simulations (Molecular Dynamics and Molecular Monte Carlo).

Sources and materials: Allen, Michael Patrick, and Dominic J. Tildesley. Computer Simulation of Liquids. 2nd ed., Oxford University Press, 2017.

Frenkel, Daan, and Berend Smit. "Understanding molecular simulation: From algorithms to applications." Computational sciences series 1 (2002): 1-638.

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