More about our group

More ways to keep up to date:

-Follow us on twitter, where we are @KulikGroup.
-Check out our recent News on the news page.
-The group's publications may be found on Google Scholar or on our publications page.
-Email us.


Our group currently has postdoctoral openings for those with a background and interest in QM/MM and/or biomolecular simulation, large-scale electronic structure theory, and/or methodological developments in density functional theory. Email us for more details.


If you have a question about one of our tutorials, feel free to email us. However, they are no longer actively maintained and the scripts are likely incompatible with newer versions of Quantum-ESPRESSO. If you would like to learn more about DFT+U, check out our recent perspective 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: