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

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)

• Prerequisite(s): CHEM 345 or equivalent and CHEM 365 or PHYS 329 or equivalent, and COMP 202 or COMP 208 or equivalent.