Date News
Wednesday, August 21, 2019

Heather presents the group's research in an invited talk at the XXVIII International Materials Research Congress in Cancun, Mexico! Check out the program here!

Tuesday, August 20, 2019

Aditya represents the group's work on machine learning MOF properties at the DARPA YFA Annual meeting in Arlington, VA!

Monday, August 19, 2019

The International Year of the Periodic Table Emerging Investigator Special Issue in Inorganic Chemistry is now online! Check out more about all the contributions here!

Wednesday, August 14, 2019

Qing's (Ph.D. '18) paper on tuning surface stability and reactivity with approximate DFT has been accepted to J. Phys. Chem. Lett.! Check it out here!

Thursday, August 8, 2019

Heather presents the group's DARPA Young Faculty Award work as part of the DARPA AMD PI kick-off meeting in Arlington, VA!

Friday, August 2, 2019

Heather's invited Opinion on machine learning for transition metal chemistry has been published online in WIREs Computational Molecular Science! Check it out here!

Thursday, August 1, 2019

Welcome to new postdoc Michael Taylor! Michael will work on III-V quantum dots and metal organic framework electronic properties!

Tuesday, July 30, 2019

Heather gives a talk about Aditya's work as part of the ICDC EFRC at the EFRC PI meeting!

Tuesday, July 23, 2019

Aditya's paper on machine learning for catalysis has been accepted to ACS Catalysis! This work was our first paper as part of the ICDC EFRC and is collaborative with the Getman lab at Clemson. Check it out here! The liveslides explaining the work are now online, too! Check them out here!

Monday, July 15, 2019

Heather presents an invited talk and JP a poster at ISTCP X in Tromsø, Norway!

Thursday, July 11, 2019

JP's paper on a new neural network uncertainty quantification metric has been accepted to Chemical Science! Check out the article here! It has also been written up in Chemistry World! Check out the article here!

Wednesday, July 3, 2019

Stefan and JP's paper on enumerating de novo transition metal complexes has been just accepted to Mol. Sys. Des. Eng.! This article will be part of the upcoming 2020 Emerging Investigators issue! Check out the open access article here!

Tuesday, July 2, 2019

Heather has received the J. Phys. Chem. Lectureship (PHYS Division) Award and will give a talk about the group's work at ACS San Diego in August! Check out more about all the recipients here.

Tuesday, June 25, 2019

Zhongyue's paper on the origin of methyltransferase catalytic action has been published ASAP in J. Phys. Chem. Lett! Check it out here.

Monday, June 24, 2019

Aditya and Heather present the group's research at the 26th North American Catalysis Society Meeting! Aditya has received a Kokes award as part of his attending the meeting.

Sunday, June 16, 2019

Heather's in Europe giving invited talks at the Eni PI meeting in Milan, Italy and at Molkin 2019 in Berlin, Germany!

Friday, June 7, 2019

Heather gives an invited talk at the 102nd Canadian Chemistry Conference and Exhibition! Check out all the details here!

Wednesday, June 5, 2019

Congratulations to Dr. Fang Liu for receiving a MolSSI Investment 18-month postdoctoral fellowship! Check out all the winners here!

Wednesday, May 22, 2019

JP presents the group's work at the data science workshop at Lehigh University!

Monday, May 20, 2019

Congratulations to Dr. Qi on her successful thesis defense! Next stop: Pfizer where Helena will be a senior scientist in the computational sciences! Congratulations, Helena!


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: