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CH-420: Understanding advanced molecular simulation

Résumé

This course introduces advanced molecular simulation techniques such as Monte Carlo and Molecular dynamics in different ensembles, free energy calculations, rare events, Configurational-bias Monte Carlo etc.

Séances de cours

Enseignant·e

Berend Smit

Berend Smit received an MSc in Chemical Engineering in 1987 and an MSc in Physics both from the Technical University in Delft (the Netherlands). He received in 1990 cum laude PhD in Chemistry from Utrecht University (the Netherlands). He was a (senior) Research Physicists at Shell Research from 1988-1997, Professor of Computational Chemistry at the University of Amsterdam (the Netherlands) 1997-2007. In 2004 Berend Smit was elected Director of the European Center of Atomic and Molecular Computations (CECAM) Lyon France. Since 2007 he is Professor of Chemical Engineering and Chemistry at U.C. Berkeley and Faculty Chemist at Materials Sciences Division, Lawrence Berkeley National Laboratory. Since 2014 he has been director of the Energy Center at EPFL.

Source officielle

https://edu.epfl.ch/coursebook/fr/understanding-advanced-molecular-simulation-CH-420

Page Moodle

http://go.epfl.ch/CH-420

À propos de ce résultat

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Résumé

Séances de cours

Enseignant·e

Berend Smit

Source officielle

https://edu.epfl.ch/coursebook/fr/understanding-advanced-molecular-simulation-CH-420

Page Moodle

http://go.epfl.ch/CH-420

À propos de ce résultat

Proximité ontologique

Physique

Thermodynamique: Statistical mechanics

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