CHEM 381 - Computational Chemistry II - Advanced Methods

0.5 unit(s)

This course introduces the theory and application of advanced first-principles computational chemistry methods, focusing on higher-level applications of Hartree-Fock theory and density functional theory, transition state theory, and correlated wavefunction methods. Applications include the prediction of properties of molecular and solid state materials. The course is composed of traditional lectures and computational laboratory exercises; assignments in the class are primarily project-based. Both CHEM 380 and CHEM 381 must be taken in sequence.

Prerequisite(s): CHEM 352, CHEM 380.

Second six-week course.

Two 75-minute periods.

Not offered in 2022/23.

Course Format: CLS