Chemical Theory & Computation

	Cramer, Christopher J Structure, Reactivity, and Dynamics

	Gagliardi, Laura Quantum chemistry, molecular dynamics

	Gao, Jiali Quantum-Classical Models of Biology

	Goodpaster, Jason Quantum Theory

	Kass, Steven R

	Siepmann, J Ilja Statistical Mechanics of Condensed Phases

	Truhlar, Donald G Dynamics and Electronic Structure

Research

The Department of Chemistry offers a rich program in Computational Chemistry, a part of the Physical Chemistry specialty area. The graduate program in Computational Chemistry is lead by the Minnesota Chemical Theory Center (CTC) Group. The CTC consists of faculty members and their research groups who specialize in a broad range of cutting-edge computational chemistry research including:

Method Development

Electronic Structure Theory
Monte Carlo Methods
Potential Surfaces & Force Fields
Quantum Dynamics
Solvation Models
Statistical Mechanics

Applications

Biomolecular Simulations
Chemical Reactivity
Nano-Materials
Nucleation
Phase Equilibria
Photochemistry
Thermochemistry

In addition to an integrated first-rate curriculum in core physical and computational chemistry, there are a number of exciting opportunities to take advantage of tutorials in computational chemistry software and high-performance computing at the Minnesota Supercomputing Institute (MSI) housed right on campus! The MSI also contributes to the atmosphere of cutting-edge computational chemistry research provided by the CTC by hosting a number of national and international Symposia and Workshops in various areas of scientific computation.

The Chemical Physics Program is a separate interdisciplinary graduate program, with graduate faculty consisting of members of the Departments of Chemistry, Physics, and Chemical Engineering, Materials Science, Biochemistry and Medicinal Chemistry. Read More