Helena and Masha's invited QM/MM paper just accepted!


Wednesday, June 21, 2017

News Blurb: 

Helena's paper about our recent work on residue-residue interactions quantified through the Fukui function has been just accepted to Acta Physico-Chimica Sinica as part of a special issue on conceptual density functional theory! Check the article out here! All published articles in the series will appear here!

About Us

The Kulik group focuses on the development and application of new electronic structure methods and atomistic simulations tools in the broad area of catalysis.

Our Interests

We are interested in transition metal chemistry, with applications from biological systems (i.e. enzymes) to nonbiological applications in surface science and molecular catalysis.

Our Focus

A key focus of our group is to understand mechanistic features of complex catalysts and to facilitate and develop tools for computationally driven design.

Contact Us

Questions or comments? Let us know! Contact Dr. Kulik: