TOPICS IN COMPUTATIONAL CHEMISTRY

CHEM 175

Various topics in chemistry at the introductory level.

CHEM 675

Basic principles of quantum chemistry, exactly solvable problems, angular momentum, approximation methods, applications to electronic structure.

CHEM 361

An in-depth introduction to the use of machine learning techniques in Chemistry. Topics will include basics of probability theory and statistics, basics of function fitting and parameter inference, basics of optimization, and machine learning techniques. Discuss a selection of Chemistry topics that are particularly amenable to analysis using machine learning. These might include generative models for organic synthesis, force-fields, application to phase transitions, structure and dynamics of molecular systems, and AI-driven drug discovery.

CHEM 575

Various topics in chemistry at the advanced level.

CHEM 860

Various selected topics in contemporary physical chemistry.