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CHEM 505 Computer Modeling of Molecules and Materials (3 unités)

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Nota : Ceci est la version 2021–2022 de l'annuaire électronique. Veuillez mettre à jour l'année dans la barre d'adresse de votre navigateur pour une version plus récente de cette page, ou .

Offered by: Chimie (Sciences)

Vue d'ensemble

Chimie : A comprehensive introduction to computational methods and software for graduate students and advanced undergraduates. The main focus of the course is on important practical aspects of chemistry-related computer modeling: how to perform simulations reliably and efficiently, and how to interpret simulation results. Two main classes of computer simulations--electronic structure methods and statistical mechanics methods--will be discussed in detail together with a wide range of chemical examples.

Terms: Hiver 2022

Instructors: Khaliullin, Rustam; Moitessier, Nicolas (Winter)

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