Date News
Friday, August 18, 2017

Representing the Kulik group, Qing and Jeong Yun present their work on indium phosphide quantum dot growth and design, JP presents on machine learning representations of inorganic complexes, and Terry presents on catalyst design software and strategies at the 254th ACS Meeting Aug 20-24, 2017!

Wednesday, August 16, 2017

Heather co-organizes "coding solvation" workshop in Livorno, Italy Aug 23-25 and gives a talk on the flat plane condition at WATOC Aug 29th!

Thursday, July 20, 2017

Heather presented the group's research in inorganic molecular design at ACTC! Akash, Terry, JP, Jeong Yun, Rimsha, Helena, and Qing also presented posters!

Monday, July 10, 2017

Terry has been awarded a prestigious NUS-Overseas Graduate Scholarship. This scholarship provides Terry opportunities to return to NUS as a faculty member upon completion of his Ph.D. and postdoc. Congratulations Terry!

Thursday, June 29, 2017

Yu Jin from Peking University in Beijing, China has joined us for the summer to work on delocalization error in heterogeneous catalysis! Welcome Yu Jin!

Wednesday, June 21, 2017

Helena's paper about our recent work on residue-residue interactions quantified through the Fukui function has been just accepted to Acta Physico-Chimica Sinica as part of a special issue on conceptual density functional theory! Check the article out here! All published articles in the series will appear here!

Monday, June 5, 2017

Lydia Chan from Troy H.S. in Fullerton, CA has joined us for the summer to work on using genetic algorithms for the design of spin crossover complexes! Welcome Lydia!

Tuesday, May 30, 2017

JP's ANN paper for prediction transition metal complex properties has been published as an Advance Article in Chemical Science! Check it out here!

Tuesday, May 2, 2017

Our recently awarded MITEI seed fund has been written up in MIT news. Check it out here!

Wednesday, April 19, 2017

Our invited article about our efforts in molecular design for I&ECR's "2017 Class of Influential Researchers" has been published ASAP! Congrats to JP, Terry, Adam, and Tim (now at MIT Sloan). It summarizes our developments in molsimplify.


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: