CHEM 4710 - Computational Chemistry

Prerequisite: CHEM 4615. This course provides students with the basic principles and methods in computational chemistry. Students will learn the chemical theories, molecular building methods, and basic software for simulating molecules and chemical systems for applications in chemistry, biology, and materials science. In particular, the chemical theories include quantum mechanics, semi-empirical methods, Hartree-Fock, post Hartree-Fock methods, and density functional theory, and solvation methods, molecular mechanics, and force field molecular dynamics. 3 credits.