Date News
Wednesday, May 27, 2020

Akash wins the John Wulff Award for Excellence in Teaching an Undergraduate Subject in DMSE! Congratulations, Akash!

Wednesday, April 8, 2020

Fang accepts a faculty position at Emory University in the Department of Chemistry starting August 2020! Congratulations, Fang!

Friday, April 3, 2020

Rimsha's paper on QM/MM region dependence in Zn sites of DNMT has been accepted to JCTC! Check it out here!

Saturday, March 28, 2020

Our group's invited article on spin state assignment from structure has been accepted in J. Phys. Chem. A! Check it out here!

Thursday, March 26, 2020

MIT News covers JP's recent work on accelerating materials discovery! Check it out here!

Friday, March 20, 2020

Zhongyue accepts a faculty position at Vanderbilt University in the Department of Chemistry starting August 2020! Congratulations Zhongyue!

Monday, March 2, 2020

JP's (Ph.D. '19) paper on accelerating materials discovery has just been accepted to ACS Central Science!

Thursday, February 20, 2020

Fang presents an invited talk at Sanibel about her work on ML for multireference character!

Monday, January 27, 2020

Heather presents seminars at Cornell CBE, Berkeley CBE, and UC Merced CCB this week! Thanks to Lynden Archer, Wenjun Zhang, and Hrant Hratchian for the invites!

Tuesday, January 14, 2020

Heather presents seminars at Stanford chemical engineering and UC San Diego Chemistry on the group's work!

Monday, January 13, 2020

Chenru presents a talk and Jing a poster at the New England Catalysis Society meeting! Congratulations to Jing for winning a poster award!

Wednesday, December 18, 2019

Congratulations to Dr. Janet on his successful thesis defense! Next stop: AstraZeneca in Gothenburg, Sweden where JP will be a senior scientist advancing machine learning for drug discovery! Congratulations, JP!

Tuesday, December 17, 2019

Heather's MITEI podcast about the group's work is now online as a companion to the recent article about our work! Check them both out here!

Monday, December 9, 2019

Heather is in Helsinki to give three lectures on the group's work in inorganic chemistry at the 35th winter school in theoretical chemistry! Check out the full list of talks here!

Monday, December 2, 2019

The group attends MRS Boston! Jing and Mengyi give talks about their work, Akash, Chenru, and Aditya present posters! HJK presents an invited talk about the group's ML work

Thursday, November 21, 2019

Heather gives a talk at Clemson ChBE. Thanks to Rachel Getman for the invite!

Monday, November 18, 2019

Fang's paper on density delocalization error in DFT has been just accepted to J. Chem. Theory Comput.! Check it out here!

Sunday, November 10, 2019

The group heads to AIChE in Orlando! Fang and Zhongyue present talks as faculty candidates, Heather gives an invited talk, and Aditya, Daniel, Fang, and JP present the group's work in machine learning for accelerated discovery!

Thursday, November 7, 2019

Heather gives a talk about the group's work on understanding QD growth at nanoGE in Berlin! Thanks to Jonathan Owen and Ivan Infante for the invitation!

Thursday, October 31, 2019

Heather gives an invited talk at North Dakota State University Chemistry! Thanks to Dmitri and Svetlana for the invitation!


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: