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.        

Group Photo, 2016

Now Open!

Registration to the  Crystal School in Minneapolis

The Minnesota Chemical Theory Center and the Theoretical Chemistry Group of the Torino University are organizing a school on the ab initio simulation of solids, entitled "The Minnesota Workshop on ab initio Modelling in Solid State Chemistry with CRYSTAL".
Mn Workshop with Toranto

The Minneapolis  School will provide the necessary formal background to understand the main theoretical methodologies and approximations underpinning modern ab initio solid state computational tools and it will also provide practical guidelines for the actual use of standard and advanced features of CRYSTAL. 

Upcoming Seminars

Sep 8 2017 - 4:00pm
Siepmann Group


Oct 13 2017 - 4:00pm
Gagliardi Group


Nov 10 2017 - 4:00pm
Gao Group


Dec 8 2017 - 4:00pm
Truhlar Group



NEW! ICDC/CTC Summer Undergraduate Fellowship

For the first time, the ICDC and CTC will be offering a summer undegraduate research fellowship. The application is closed for 2017. For information on the 2018 program contact Professor Gagliardi (

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May 12, 2017

Bernales receives Computers in Chemistry Outstanding Postdoc Award

"Varinia Bernales, Ph.D., a post-doctoral associate working with Professor Laura Gagliardi, has received a Wiley Computers in Chemistry Outstanding Postdoc Award for her work, “Towards multiconfiguration quantum embedding methods for solids state.” This work is important because researchers want to treat difficult chemical systems with highly accurate computational methods. The development of these methods will allow researchers to better understand the nature of the systems, accelerating the rational design and control of the electronic and magnetic properties of matter, and the discovery of new materials with exceptional properties. " 

Summary from the Department of Chemistry

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