CHEM - 480. Computational Chemistry

3 credit(s)
This introductory course in computational chemistry will discuss molecular mechanics, molecular dynamics, semi-empirical, and particularly ab initio computational approaches. Students will learn to run major computational chemistry software packages on state-of-the-art workstations (Spartan, Gaussian, GAMESS, VASP, TINKER). The selection of appropriate techniques for solving a variety of chemical problems will be emphasized. The focus of the course will also be on the analysis, visualization, and interpretation of results from calculations employing the various computational methods. A good undergraduate-level quantum chemistry background is expected.

Prerequisite(s): CHEM 120 or CHEM 170, and CHEM 220.
Attribute: (ATTR: ARTS).