Giannis Mpourmpakis Paper Published in ACS Catalysis, Featured on Cover

Giannis “Yanni” Mpourmpakis in a black suit and white shirt

New research from Pitt’s Swanson School of Engineering, in collaboration with the Laboratory of Catalysis and Catalytic Processes (Department of Energy) at Politecnico di Milano in Milan, Italy, advances the field of computational catalysis by paving the way for the simulation of realistic catalysts under reaction conditions. The paper was published in ACS Catalysis and featured on the cover of the print edition.

Computational catalysis, a field that simulates and accelerates the discovery of catalysts for chemical production, has largely been limited to simulations of idealized catalyst structures that do not necessarily represent structures under realistic reaction conditions. 

The paper was authored by Raffaele Cheula, PhD student in the Maestri group; Matteo Maestri, full professor of chemical engineering at Politecnico di Milano; and Giannis “Yanni” Mpourmpakis (pictured), Bicentennial Alumni Faculty Fellow and associate professor of chemical engineering at Pitt.