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Overview
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 2023
Instructors: Khaliullin, Rustam; Moitessier, Nicolas (Winter)
