Research in the Kulik group

The Kulik group is focused on developing and applying accurate and efficient quantum mechanical methods to understand and design heterogeneous, molecular, and biological catalysts. A firm understanding of the fundamentals of catalysis is critical for tackling human health challenges and managing disease as well as addressing modern challenges in energy and efficient use of raw feedstocks. Through studying a wide range of catalysts - from enzymes to surface science - we aim to elucidate unifying principles that govern catalysis and provide a blueprint for catalyst design. 

We're all moved into our new space!

Qing's quantum giraffe Dou Dou would like to give you a tour. Come check out our new space now that we've moved in...! 

Cluster maintenance party in Boston

Helena, Qing, Tim and I all headed to Downtown Crossing to do a lot of maintenance on our cluster (replace the pdus on 5 nodes and put new ram in the zfs)! As you can tell from the pictures, they did all of the work while I just sat back and relaxed! Afterwards we went to Xinh Xinh to eat some vietnamese food that wasn't nearly spicy enough for our tastes.


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.

The 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: