Date News
Tuesday, July 24, 2018

Our paper on large-scale electronic structure from free energy simulations has been accepted to Phys Chem Chem Phys! Check the open access article out here.

Friday, July 20, 2018

Heather receives the DARPA Young Faculty Award and attends the YFA 2018 kick-off in Arlington, VA for the group's research in accelerating inorganic discovery! Learn more about the award here and the list of all 2018 winners here!

Friday, June 29, 2018

We're glad to be part of two recently awarded DOE Energy Frontier Research Centers - ICDC led by Laura Gagliardi (U Minnesota) and CENT led by Michael Strano (MIT)! Excited to get started! Check out the full list of new and renewed EFRCs here!

Thursday, June 28, 2018

Fang's paper has been just accepted to the IJQC special issue on simulating solvation!

Tuesday, June 26, 2018

Heather presents a poster on JP and Aditya's work at the GRC on Catalysis at Colby-Sawyer College!

Thursday, June 14, 2018

Heather presents Fang and JP's work at the Eni PI meeting in Milan and gives an invited talk about JP, Chenru, Aditya, and Stefan's work at the CC2AI: Computational Chemistry Meets Artificial Intelligence ICQC Satellite meeting in Lausanne!

Tuesday, June 5, 2018

Fang and Heather attend Low-scaling and Unconventional Electronic Structure Techniques Conference (LUEST) 2018 and present their work on DFT! Thanks to Gus Scuseria for the invite!

Thursday, May 24, 2018

Busy end of semester here! Heather presents Akash, Qing, and Fang's electronic structure research at the DOE CTC/CCS PI meeting and heads to ETH Zürich to give a seminar about the group's inorganic discovery work!

Wednesday, May 9, 2018

Heather gives seminars at the Universal Display Corporation and Pfizer this month! Thanks to everyone for the great visits and conversations!

Monday, April 30, 2018

Qing will receive the CCG Excellence Award for Graduate Students at ACS Boston 2018 for her work on delocalization error in DFT! Congratulations, Qing! Check out the full list of winners here!

Thursday, April 26, 2018

Jeong Yun's (PD '16-18, now at Samsung) paper on when ligand pKa is a good descriptor for catalyst design has been published ASAP in J. Phys. Chem.! Check it out here!

Wednesday, April 4, 2018

Heather gives the University of Washington Physical Chemistry seminar! Thanks to everyone for a great visit & to Xiaosong Li for the invite!

Wednesday, March 28, 2018

Busy week! Fang and Heather travel to Stanford for the inaugural TeraChem developers meeting and Heather gives a talk at Oklahoma State Chemical Engineering about the group's work in inorganic discovery! Thanks for a great visit!

Monday, March 19, 2018

Heather joins the International Journal of Quantum Chemistry editorial board! Check out the full list here - glad to be in good company!

Thursday, March 15, 2018

Heather heads to ACS New Orleans to give an invited talk about enzymes and another one about machine learning and to give an OpenEye award poster about the group's inorganic design work - JP, Fang, Helena, and Rimsha will also present and attend! Keep up to date with us and our schedule at the meeting on twitter here!

Tuesday, February 27, 2018

Heather gives a talk on the group's work in inorganic discovery for the Michigan State physical chemistry seminar. Thanks for a great visit!

Wednesday, February 21, 2018

Heather receives the ONR Young Investigator Award for research in transition metal complex design! Check out all the recipients here and more about the 2018 ONR YIP here!

Monday, February 19, 2018

JP and Lydia's paper has been highlighted in C&E News! Check out the concentrate here! Or read the original article here!

Friday, February 16, 2018

JP and Lydia's (Troy HS '18) paper on using ANNs for chemical discovery has been just accepted in J. Phys. Chem. Lett.! Check it out here!

Tuesday, February 6, 2018

Heather gives a talk on the group's work in inorganic discovery at the University of New Hampshire Chemistry Department. More info here. Thanks for a great visit!


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: