Computational Materials Phys

Catalog description

This course will introduce students to various methods used in computational materials physics research. There will be a heavy emphasis on density functional theory (DFT) applied to crystals, surfaces and molecules as it is used to obtain structural and electronic properties, as well as reaction dynamics and other useful information. We will also cover force field methods and more advanced techniques. The format will include an introduction of the theory, but the emphasis will be on doing hands-on exercises. Students will learn how to use a Unix environment to set up, run, and analyze calculations. Some light scripting will also be covered. The course is aimed at students interested in entering computational research streams but will also be accessible to experimentalists wishing to do their own computations. Semester offered varies.