Date News
Wednesday, May 15, 2019

JP will receive the CCG Excellence Award for Graduate Students at ACS San Diego 2019 for his work on machine learning in inorganic chemistry! Congratulations, JP! Check out the full list of winners here!

Tuesday, May 7, 2019

Heather visits Silicon Therapeutics to give an invited talk about the group's work! Thanks to Woody Sherman for the invite!

Friday, April 26, 2019

Congrats to Eve Xu (Fall 2018 hjkgrp UROP) who is a 2019 Barry Goldwater Scholar! Eve's recent publication in the group from work supervised by her postdoc mentor, Dr. Fang Liu, is also recently online here! See the full list of Goldwater recipients here!

Thursday, April 18, 2019

Rimsha's paper on protein-protein dynamics in SyrB2/SyrB1 has been accepted to ACS Catalysis! Check it out here!

Sunday, April 14, 2019

Heather visits Emory to give a Chemistry department seminar! Thanks to Francesco Evangelista for the invitation!

Tuesday, April 9, 2019

Aditya receives a prestigious NSF Graduate Research Fellowship!

Wednesday, April 3, 2019

Aditya receives a Kokes award for travel to the 26th NAM meeting to give a talk on his work on ML for catalyst energetics!

Thursday, March 28, 2019

Akash and Fang's paper on non-empirical coefficients in jmDFT has been accepted to J. Chem. Phys.! Check it out here!

Wednesday, March 27, 2019

Helena's paper on unexpectedly short non-covalent interactions in the PDB has been published ASAP in JCIM! Check it out here!

Monday, March 25, 2019

Heather visits WSU Chemical Engineering and Chemistry to give a talk about the group's work in inorganic discovery!

Friday, March 22, 2019

Chenru, JP, Fang, and Aditya's paper on machine learning models to predict simulation outcomes has been published ASAP in JCTC! Check it out here!

Wednesday, March 20, 2019

Fang, Nick, Jing, Eve, and Akash's paper on SACs has been accepted for the Frontiers in Chemistry Rising Stars issue! Check it out here.

Tuesday, March 19, 2019

JP has won the Center for Computational Engineering MathWorks Prize for Outstanding Doctoral Research! Check out more details here.

Wednesday, March 13, 2019

Congratulations to Natalia Hajlasz who has received a highly competitive Herchel Smith Summer Undergraduate Research Fellowship to continue her work on ab initio MD of peptides in close collaboration with Kulik group postdoc Dr. Zhongyue Yang! Check out more info here!

Tuesday, March 5, 2019

Our group's invited Forum Article has been published ASAP in Inorganic Chemistry! Check it out here!

Saturday, February 9, 2019

Aditya, Akash, Heather, Helena, JP, and Nick are in Israel as part of the MIT delegation to the Israel Chemical Society meeting and to visit several universities with help from the MISTI-BGU Seed Grant! Congrats to Helena for winning an ICS poster award!

Friday, February 8, 2019

Heather receives a 5 year NSF CAREER award to support the group's research in single atom catalysis!

Friday, February 1, 2019

Heather has been promoted to Associate Professor (without Tenure) effective July 1!

Thursday, January 31, 2019

A group first! Two of our papers were the most read in their journals for 2018: JP and Lydia's paper in J. Phys. Chem. Lett. and Qing's paper in J. Chem. Theory Comput.! Congratulations! Check out the full list here!

Tuesday, January 29, 2019

Heather gives a seminar at the University of Minnesota Department of Chemistry! Thanks to everyone for being great hosts!


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: