News
New papers from the Truhlar group
On December 15th, Prof. Don Truhlar gave an invited talk titled “New Methods and Concepts for Nonadiabatic Chemical Dynamics" at Pacifichem in Honolulu, Hawaii. Since then, the Truhlar group has
2025 highlights from SAMPEL (Sarupria) lab
Highlights from the SAMPEL Lab, led by Prof. Sapna Sarupria, from the year 2025 can be found here!
Notable alumni news
Sijia Dong, Assistant Professor at Northeastern University, who was a postdoc in the Truhlar group from 2017 to 2019, has been chosen as the 2026 InterAmerican Photochemical Society Young
Jonathan Zajac received the Outstanding Graduate Student Award from AIChE Computational Molecular Science and Engineering Forum
Jonathan, from the Sarupria group, presented his work in which he developed a novel method to enable computationally feasible simulations of viral capsids at all-atom resolution with explicit solvent
New papers from the CTC community!
We have several new papers from the Chemical Theory Center community:
The Truhlar group, in collaboration with the Gagliardi Group at the University of Chicago, just published a new paper “MC25:
First year graduate students join research groups
William Humphreys and Zoe Vetter joined the Boyn group
James Bradley and Karnika Purohit joined the Head-Marsden group
Mira Deshpande, Ashley Palecek, Fernando Sanchez Cano, and Navraj Singh
Prof. Siepmann Named the Thomas Allen Gregory Chair in Physical Chemistry
Professor Ilja Siepmann has been named as the inaugural Thomas Allen Gregory Chair in Physical Chemistry. This is our Department's first Chair in physical chemistry, which was made possible
New publications from the Boyn Group!
This month saw two new publications from the Boyn Group: The first being a collaborative paper led by third year graduate student Saranya Velliyarat titled “Pre-synthetic redox control of structure
Prof. Bartel featured in the Materials Horizons Emerging Investigator Series
Prof. Chris Bartel is featured in the Materials Horizons Emerging Investigator Series, recognizing his group's work in computational materials science. Congratulations Chris!
Ramirez Group awarded ACS Ignition Grant!
Prof. Melissa Ramirez and her group have been awarded an ACS Ignition Grant which will provide funding for the development of new methods for enantioselective quaternary center formation using
A new theory course
Prof. Sapna Sarupria's new course, CHEM2920: Machine Learning for Chemistry, is officially on the Spring 2026 schedule! Check out more here.
Two Theory Graduate Students Honored with 2025 Chemistry Student Excellence Fellowships & TA Awards
At the Department of Chemistry’s Kickoff Seminar on September 4th, two theory students were recognized with honors and awards for their excellence and hard work in the 2024-2025 academic year.