The Computational Surface Science and Catalysis (CSSC) Group is a part of the Department of Chemical and Biological Engineering of the University of Wisconsin at Madison. Our group’s focus is on first-principles investigations of surface science phenomena. We use first-principles electronic structure calculations in conjunction with massively parallel computing to find the optimal geometries and energetics of adsorbates on transition metal surfaces. Our goals are to acquire a detailed understanding of the kinetics and thermodynamics of adsorbate behavior on transition metals and semiconductors and to apply this knowledge to the design of new catalysts and semiconductors.
Manos Mavrikakis
Supervising Professor
Editor-in-Chief (2012-2020)
Surface Science
https://orcid.org/0000-0002-5293-5356
