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Strategies and Software for Machine Learning Accelerated Discovery in Transition Metal Chemistry, Nandy, Aditya, Duan Chenru, Janet Jon Paul, Gugler Stefan, and Kulik Heather J. , Industrial & Engineering Chemistry Research (invited for special issue), 09/2018, Volume 57, (2018)

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: