Heterogeneous catalysis

David is a Ph.D student in the Department of Chemistry and Chemical Biology.  He is being co-advised by Prof. Cynthia Friend and Prof. Boris Kozinsky. His research area is computational catalysis, with a focus on  surface restructuring in Pd/Ag catalysts...

Trevor David Rhone is a Future Faculty Leaders postdoctoral fellow at Harvard University.  He received a liberal arts education from Macalester College in Saint Paul. He went on to pursue his doctoral studies in physics at Columbia University in the city...

Ioanna is an instructor at Villanova University. She was a post-doctoral fellow at Harvard University under the direction of Prof. Efthimios Kaxiras. She joined the group in 2016.

She received her PhD in Mechanical Engineering in 2014 from University of...

Gokhan is a PhD student and his research is focused on theoretical heterogeneous catalysis of metal and metal oxides, as well as the properties of two dimensional system such as graphene. Other ongoing projects are the study of the role of promoters in...

Dmitry Vinichenko is currently a graduate student in the group. He is working on modeling the photo-catalyzed processes, in particular alcohol oxidation on titania, using a combination of delta-SCF approach for excitation creation and Ehrenfest dynamics...

Dogus currently works at Google. He finished his Ph.D. studying structural complexities in atomistic systems, ranging from disordered solids to catalytic surfaces, in 2016. He worked on developing methodologies to combine first-principles calculations...

Current Affiliation: Tulane University Assistant Professor Matt’s research broadly involves designing new materials for energy applications, especially catalysis.

Wei works on materials modeling of 2D structures and heterogeneous catalysis. His recent interests are alloy catalysts and pre-exponential factor estimation.