Introduction to Computational Chemistry

Catalog description

Introduction to the theory and practical application of computational methods to modeling chemical and biochemical processes. Methods include molecular mechanics, density functional theory, and solvent models. Topics include potential energy surfaces, bonding, spectroscopy, solvent effects, and macromolecular structure. Course provides hands-on experience using molecular modeling software and scientific computing resources. P: CHM 371 or CHM 383 , MTH 246 or MTH 249 , PHY 202 or PHY 214 , or IC.