Theoretical and Computational

Theoretical chemistry uses mathematical and computational techniques and fundamental laws of physics to evaluate properties of matter that are of interest to Chemists and Chemical Physicists. It spans a great range of topics, from properties of small, isolated molecules and dynamics of elementary chemical processes, to reaction pathways of organic and bioinorganic molecules, to hydrogen bonding patterns in liquids, to predictions of reaction rates of biologically important pathways. Theoretical chemistry provides ongoing experiments with new insights and allows one to study molecular systems in the absence of experiment. The breadth of theoretical chemistry is reflected in the interests of the faculty in the Department of Chemistry at MSU.

If you have a background in chemistry and/or physics, and you enjoy pursuing science from a quantitative, mathematical or physical and computational perspective, we encourage you to apply to our graduate program.  Our students and postdocs receive high-level training, which includes a deep understanding of fundamental chemical and physical laws and sophisticated mathematical and computational skills that can be used in natural sciences and outside science. We offer a broad range of graduate level courses in theoretical and computational chemistry, using the advanced techniques of statistical and quantum mechanics. Information about graduate studies in our Department can be found at here. Undergraduates interested in learning about theoretical chemistry are strongly encouraged to contact us.