This course will investigate a variety of methods and techniques commonly practiced in the computational chemistry community. Emphasis will be given to first principles (ab initio) methods, but general topics (e.g., potential energy surfaces), as well as simulation methods (molecular dynamics and Monte Carlo), will also be covered. One of the primary goals is to provide a firm foundation from which much of the current literature in computational chemistry can be critically assessed.
Class Schedule: MWF, 11:10 - 12:00 over WHETS (originating from WSU-TC)
Textbook: Introduction to Computational Chemistry by Frank Jensen (Wiley, 1999).
Professor: Kirk Peterson
E-mail: kipeters@wsu.edu
Office: WSU-TC/Rm. 207N office phone: (509) 372-7282
Class Web Page: http://www.tricity.wsu.edu/~kipeters/Chem537/index.html