CHEM 320 - Computational Chemistry

Computation plays a key role in chemical research today, with many articles in the literature using computer modeling to make predictions of chemical behavior and to interpret experimental results. Arguably the most powerful subfield of computational chemistry is quantum chemistry-the application of quantum mechanics to atoms and molecules. This course has the following goals: (1) introducing the basic concepts of quantum chemistry; (2) illustrating the power and limitations of different quantum chemical methods; (3) providing opportunities to apply quantum chemistry to a variety of systems. The emphasis throughout the course will be on the use of computers to make predictions, instead of the mathematics and physics underlying quantum mechanics. The second half of the course focuses on research projects possibly leading to publication. Prerequisite(s): CHEM 212 (Organic Chemistry II) with a grade of C- or better, or permission of the instructor. Offered alternate years. (4 Credits)