Background with Logo

Home

Featured Publication

 

Table of contents graphic for "Benchmarking and Contrasting Exchange–Correlation Functional Differences in Response to Static Correlation in Unrestricted Kohn–Sham and a Hybrid 1-Electron Reduced Density Matrix Functional Theory"

Benchmarking and Contrasting Exchange-Correlation Functional Differences in Response to Static Correlation in Unrestricted Kohn-Sham and a Hybrid 1-Electron Reduced Density Matrix Functional Theory
Daniel Gibney and Jan-Niklas Boyn
Journal of Chemical Theory and Computation, 21 (10), 5132-5142 (2025)
 

News

First year graduate students join research groups

First year graduate students officially join research groups!

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

Seminars

Our next theory seminars, both by Prof. Troy Van Voorhis from MIT, will take place on Tuesday November 18th. The first is at 9:45AM in Smith 331 and the second is at 4PM in Smith 231. 

 

Flyer for Van Voorhis CTC seminar