Molecular simulations (introduction) Molecular dynamics MD Monte carlo MC
The Computational Chemist
In this video I am introducing the concept of molecular simulation and computer experiment, explaining how it is a bridge between theory and experiment.
This video appeals who is approaching computational chemistry, molecular dynamics, and molecular montecarlo
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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