Theoretical Chemistry Institute (TCI) consists of eight research groups. Students in theoretical chemistry ordinarily work toward doctorates in physical chemistry, in an environment that emphasizes interactions among all theoretical research groups and faculty members. We interact closely with other groups having primarily experimental interests that strongly enhance the environment for theoretical research. Notably, TCI awards internationally recognized Hirschfelder Prize in Theoretical Chemistry annually since 1991.  Since 2022, TIC also established a Hirschfelder Visitor program aiming to recognize top mid-career theoretical chemists.  TCI also has an active seminar series, which bring leading theoretical and computational chemists to visit.

Theoretical Chemistry Institute Faculty

Xuhui Huang

Credentials: Director, Theoretical Chemistry Institute

Position title: Hirschfelder Chair in Theoretical Chemistry

Email: xhuang@chem.wisc.edu

Yuan Ping

Position title: Associate Professor of Materials Science and Engineering, Chemistry, and Physics

Email: yping3@wisc.edu

JR Schmidt

Position title: Professor of Chemistry

Email: schmidt@chem.wisc.edu

Ned Sibert

Position title: Professor of Chemistry, Associate Chair for the Undergraduate Program

Email: sibert@chem.wisc.edu

Micheline Soley

Position title: Assistant Professor of Chemistry

Email: micheline.soley@wisc.edu

Reid Van Lehn

Position title: Associate Professor of Chemical and Biological Engineering and Chemistry

Email: vanlehn@wisc.edu

Yang Yang

Position title: Assistant Professor of Chemistry

Email: yyang222@wisc.edu

Arun Yethiraj

Position title: V. W. Meloche-Bascom Professor of Chemistry

Email: yethiraj@chem.wisc.edu