Publications
Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics,
, Physical Chemistry Chemical Physics, Volume 22, p.19326-19341, (2020)
The Kulik group focuses on the development and application of new electronic structure methods and atomistic simulations tools in the broad area of catalysis.
We are interested in transition metal chemistry, with applications from biological systems (i.e. enzymes) to nonbiological applications in surface science and molecular catalysis.
A key focus of our group is to understand mechanistic features of complex catalysts and to facilitate and develop tools for computationally driven design.
Questions or comments? Let us know! Contact Dr. Kulik: