Date News
Wednesday, January 16, 2019

Welcome to Mohamad Moosavi who joins us on an SNF Mobility fellowship from Berend Smit's lab at EPFL and a belated welcome to first year graduate students Naveen Arunachalam, Daniel Harper, and Vyshnavi Vennelakanti!

Friday, January 11, 2019

Congratulations to Helena for accepting a position at Pfizer as a Senior Scientist in Computational Sciences!

Thursday, January 10, 2019

Heather gives an invited talk at Exxon Mobil Research in Annandale, NJ!

Monday, December 17, 2018

Helena's collaborative work with the Chung lab has been published in Nature Biotechnology! Check out the manuscript here!

Sunday, December 9, 2018

Heather presents the group's work on QM/MM modeling of enzymes at the International Symposium on Chemical Concepts from Theory and Computation (CCTC2018) in Changsha, Hunan Province, China! Check out more details about the conference here.

Thursday, December 6, 2018

Jing's collaborative work with the Cummins lab has just been accepted to JACS! Check out the article here.

Tuesday, November 27, 2018

Zhongyue, Rimsha, Mengyi, and Helena's paper on enzyme modeling has been accepted to Reaction Chemistry & Engineering! Check out the just accepted article here!

Thursday, November 15, 2018

Heather presents in Uppsala University at the special Lowdin symposium on machine learning!

Wednesday, November 14, 2018

Congratulations to Dr. Fang Liu for receiving a MolSSI seed postdoctoral fellowship! Check out all of this year's recipients here!

Friday, November 2, 2018

Zhongyue, Aditya, Qing, and Heather present the group's work at AIChE in Pittsburgh!

Friday, October 26, 2018

Heather is one of five 2019-2020 AAAS Marion Milligan Mason Award recipients! This award supports the group's work in transition metal chemical space exploration. Check out all the recipients here.

Tuesday, October 9, 2018

Nick, Aditya, and Heather attend the ICDC Kickoff meeting in UMN!

Tuesday, October 2, 2018

Heather gives a talk on the group's work in inorganic chemistry ML at the Telluride workshop "Machine Learning and Informatics for Chemistry and Materials"!

Friday, September 28, 2018

Congratulations to Dr. Zhao on her successful thesis defense! Next stop: Princeton, where Qing will join Prof. Emily Carter's group for a postdoc. Congratulations, Qing!

Monday, September 24, 2018

Aditya, Chenru, JP, and Stefan's Invited Paper has been accepted to I&EC Research! This paper was selected as part of the special issue "Best Talks of ACS New Orleans". Check out the manuscript here!

Monday, September 17, 2018

Qing's paper on first principles InP QD growth has been accepted to Chem. Mater.! Check out the just accepted manuscript here!

Sunday, September 16, 2018

Heather heads to the theoretical methods in spintronics meeting in San Sebastian to present the group's work! Check out the full list of speakers here!

Wednesday, September 12, 2018

Heather visits Caltech to present the group's work in accelerating discovery at the 2018 Resnick Young Investigator symposium! Thanks to Jonas Peters and all the organizers for the invitation and to all the folks from Caltech CCE for a great visit. Check out the symposium here.

Friday, August 17, 2018

The group heads to ACS Boston: with a new Kulik group record of 17 abstracts - we've got talks about DFT by Fang, Qing, and Akash, about biochemistry by Rimsha and Zhongyue, and 3 invited talks for Heather about DFT and ML, along with 9 posters! Mengyi, Aditya, and Fang will present at Sci-Mix. Qing will accept a Graduate student award at the COMP poster session. Also come check out more work by Stefan, JP, Chenru, Helena, and Fang at the poster session! Big congratulations to Fang who won the GPU poster award!

Sunday, July 29, 2018

Busy mid-summer! Heather presents Zhongyue & co's enzyme research at the multi-scale QM Telluride conference followed by a talk to present Nick, JP, and Sean's work at the 43rd International Conference on Coordination Chemistry in Sendai Japan!


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: