CHEM 486 - Computational Chemistry

A hands-on introduction to computational models employed in contemporary chemical research. Topics will include energy landscapes, geometry optimization, and molecular dynamics; classical force fields, ab initio quantum chemistry, semi-empirical methods, density functional theory; critical assessment of assumptions and approximations in computational chemistry.

Prerequisites & Notes: CHEM 461 or CHEM 466 or PHYS 225; or instructor permission.
Credits: 3
Grade Mode: Letter