Metadynamics (introduction) | A history dependent non-Boltzmann sampling technique | MD

In this video I am introducing Metadynamics. Metadynamics is a history dependent non-Boltzmann sampling technique that both allows to explore the conformational phase space of a system or a process and to get a free energy estimate of the studied process.

My introductory video on non-Boltzmann sampling techniques https://youtu.be/PkTCrc0P_Xs

Sources and materials: Orac Molecular Dynamics (MD) program documentation (FREE download) http://www.chim.unifi.it/orac/ http://www.chim.unifi.it/orac/orac-manual.pdf

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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