CHEM 477

Computational Chemistry

Units: 1.5, Hours: 2-0-1

Introduction to the theory and application of computer-based methods in chemistry. Approximate approaches to the solution of the Schrödinger equation, with an emphasis on areas of applicability and limitations. Simulations of macroscopic chemical and physical systems and processes using statistical mechanics: mean field theories, molecular dynamics and Monte Carlo methods.

Prerequisites: 347 or 446.

Undergraduate course in Chemistry offered by the Department of Chemistry in the Faculty of Science.