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

Offered by: Chemistry (Faculty of Science)


Chemistry : 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: Winter 2022

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

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