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Computational Chemistry (448-0-01)

Instructors

George C Schatz

Meeting Info

Technological Institute LG66: Mon, Wed, Fri 10:00AM - 10:50AM

Overview of class

The aim of this course is to provide graduate students with an understanding of the computational methods available to study the theoretical chemistry of molecules and materials. Basic electronic structure theories will be covered, such as Hartree-Fock, DFT, TDDFT, semiempirical methods, and wavefunction methods for describing electronic correlation. Molecular dynamics with empirical potentials and Born-Oppenheimer potentials will also be considered. A basic understanding of quantum mechanics is required. Much of the class will involve hands-on use of computational chemistry software.

Registration Requirements

Registration in this class is restricted to graduate students in the Chemistry Department and Chemistry undergraduate majors. Other students may register with department permission.

Class Materials (Required)

None

Class Materials (Suggested)

None (Handouts will be provided for all topics)

Enrollment Requirements

Enrollment Requirements: Registration in this class is restricted to graduate students in the Chemistry Department and Chemistry undergraduate majors. Other students may register with department permission.