Computational Materials Phys

Catalog description

This course focuses on density functional theory (DFT) applied to crystals, surfaces and molecules in order to obtain structural and electronic properties, as well as reaction dynamics and other useful information. The course also covers force field methods and more advanced techniques. The format will include an introduction of the theory, but the emphasis will be on running calculations on desktops as well as on a high performance computing (HPC) cluster. The course is aimed at students interested in computational research but will be accessible to experimentalists wishing to better understand computational methods. Restriction: Undergraduates require permission from Graduate Director. Offered Fall only.