Publications

Author Title Type [ Year(Asc)]
Filters: Author is Todd J. Martínez  [Clear All Filters]
2015
Mediation of donor–acceptor distance in an enzymatic methyl transfer reaction, Zhang, Jianyu, Kulik Heather J., Martinez Todd J., and Klinman Judith P. , Proceedings of the National Academy of Sciences of the USA, Volume 112, p.7954–7959, (2015) PDF icon Reprint (948.31 KB)
Quantum Chemistry for Solvated Molecules on Graphical Processing Units (GPUs) Using Polarizable Continuum Models, Liu, Fang, Luehr Nathan, Kulik Heather J., and Martinez Todd J. , Journal of Chemical Theory and Computation, Volume 11, p.3131–3144, (2015) PDF icon Reprint (612.36 KB)
2012
Ab Initio Quantum Chemistry for Protein Structures, Kulik, Heather J., Luehr Nathan, Ufimtsev Ivan S., and Martinez Todd J. , Journal of Physical Chemistry B, OCT 18, Volume 116, Number 41, p.12501-12509, (2012) PDF icon Reprint (554.79 KB)

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: