Computational Chemistry

Catalog description

PREREQUISITES: CHMY 153 or CHMY 361 . The course provides a comprehensive overview of computational chemistry methods with cursory, but adequate treatment of related theory. Thus, basic quantum or theoretical chemistry background is assumed. The focus of the lectures and hands-on laboratory exercises will be using computational tools correctly and creatively as well as comparing and contrasting theoretical methods and experimental results from literature. The textbook is used to provide a good background of the relevant theoretical concepts, as needed. Each student will work on an individual project throughout the class that is preferably from past experimental research experience or current graduate thesis topics