Publications

Author Title Type [ Year(Asc)]
Filters: Author is Akash Bajaj  [Clear All Filters]
2021
Molecular DFT+U: A Transferable, Low-Cost Approach to Eliminate Delocalization Error, Bajaj, Akash, and Kulik Heather J. , The Journal of Physical Chemistry Letters, Volume 12, p.3633–3640, (2021)

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: