Graduate Catalog

CHEM 620 Computational Chemistry

The course presents fundamental principles in molecular modeling, simulation and theoretical chemistry, links microscopic phenomena and interactions with macroscopic properties and also models complex chemical systems. Students will use state-of-the art molecular simulation tools and will perform simulations of real oil and gas industry systems as well as performing energy minimization and mechanism-testing calculations.

Credits

3

Distribution

3-0-3

Offered

Spring