Computational Quantum Chemistry

Catalog description

This introductory course in computational quantum chemistry will discuss selected topics of molecular modelling with an emphasis on quantum mechanical methods. The scope of this course incorporates ab initio methods, density functional theory, molecular mechanics, and semiempirical approaches. This course is set up for graduate-level requirements, but should be accessible to advanced undergraduates. Graduate-level quantum mechanics is not required, but a good undergraduate-level quantum chemistry background is expected.