Catalysts enhance the rate of chemical reactions and are a cornerstone of modern chemical engineering. Research in the Medford group seeks to develop and leverage computational methods to understand and predict catalytic materials. These computational techniques include physical and chemical simulations as well as data-driven and statistical approaches. The ultimate goal of the group is to integrate insight from electronic structure theory with experimental evidence and data in order to accelerate the discovery and development of catalytic materials and processes.
Areas of Research