Kulik Research Group

We focus on the development and application of new electronic structure methods and atomistic simulation tools in the broad area of catalysis.

Research and values

What we do & who we are

We are an inclusive, creative, and collaborative group of people who work at the interface of computational chemistry, chemical engineering, and materials science for a wide range of applications from fundamental biochemistry to data-driven discovery of new molecules and materials. We prioritize learning—from each other and from the world around us—in our goal to advance the field and our own fundamental knowledge, while staying mindful of the impact we have on each other and society. The Kulik lab prioritizes the mental and physical health of its members as much as our quest to develop into world class scientists. Finally, we embrace very #random (but probably fairly uncool) jokes in our Slack channels. We are computational researchers after all!

Our home is in the Chemical Engineering department at MIT, we are affiliated with the Chemistry department where Heather is also a faculty member, and we are also members of the Center for Computational Science and Engineering and Computational Systems Biology (CSBi) program. Our group is excited to be a part of three multidisciplinary center efforts that bring together researchers across disciplines and universities: the Center for Enhanced Nanofluidic Transport (CENT) EFRC, a SciDAC-5 based out of UC Berkeley/LBL, and the Center for the Exascale Simulation of Material Interfaces in Extreme Environments (CESMIX) PSAAP-III.