Chemical Theory Center

February 2021

The Chemical Theory Center consists of faculty members and their research groups in the Department of Chemistry at the University of Minnesota who carry out a broad range of cutting-edge theoretical chemistry and computational chemistry research.


Jingyi Chen Successfully Defends Doctoral Dissertation

On January 14, Jingyi Chen successfully defended her doctoral dissertation entitled “Molecular Simulation Studies of Aqueous Interfacial Fluids." She will soon start a postdoctoral position at Pacific Northwest National Laboratory. Congrats, Jingyi!

Jie Bao Successfully Defends Thesis

On January 28, Jie Bao successfully defended his doctoral thesis entitled "Developing a Model Chemistry for Multiconfiguration Pair-Density Functional Theory to Study Photochemistry and Molecular Interactions." He will continue his work in the Truhlar group as a postdoctoral researcher. Congrats, Jie!

Meet CTC

Ziwei Rocky Wang is a fifth-year Ph.D. candidate in the Neurock group at the University of Minnesota-Twin Cities in the Department of Chemical Engineering and Materials Science (CEMS). He earned his B.S. degree in Chemical Engineering from Ohio State University in the summer of 2016. Rocky studies reactions of renewable feedstocks, including converting lignocellulosic feedstocks to liquid fuels and chemically recycling waste plastics to reduce environmental impacts. During his free time, Rocky likes to be outside, regardless of the season. Read his full profile here.

Big picture

Latest CTC Publication

Tuning the Conductivity of Hexa-Zirconium(IV) Metal–Organic Frameworks by Encapsulating Heterofullerenes
D. Ray, S. Goswami, J. Duan, J. T. Hupp, C. J. Cramer, and L. Gagliardi
Chem. Mater. (2021)
DOI: 10.1021/acs.chemmater.0c03855


Various positions, OpenEye Scientific

There are several open positions at OpenEye Scientific, including roles for a MD Specialist, an antibody modeling specialist, a molecular modeling software developer, a free energy calculations specialist, and a group leader for our cheminformatics software development team. More information can be found on the OpenEye Scientific Careers page:

Lecturer in Chemistry, King's College London

King’s College London is seeking a creative researcher who would like to develop research programmes using inventive chemistry across discipline boundaries. They are looking for applicants who use core chemistry to stimulate new directions in chemical biology, biomaterials, epigenetics or catalysis. They welcome applications across Chemistry that are imaginative and interdisciplinary and involve experimental or computational methods. Read more and apply here.

Reader in Computational Chemistry, King's College London

King’s College London Chemistry is seeking a creative researcher with a forward-looking research programme using inventive computational chemistry approaches. They would like to hear from people who can transform chemistry education with ideas for developing a modern computational chemistry curriculum that integrates across the discipline. Read more and apply here.

We're on Social Media

Follow our Facebook, LinkedIn, Twitter, and Youtube pages! We regularly share CTC news, publications, and more.