NERSC@50 Seminars: Manos Mavrikakis on 24 years of catalysis studies at NERSC
In the second of this special series, Manos Mavrikakis from the University of Wisconsin at Madison discusses the importance of computational resources provided by NERSC in his research on catalysis. He explains that catalysis, the process of accelerating chemical reactions, is relevant to approximately 90% of all products humans encounter. His research focuses on understanding the formation of novel active sites on catalytic surfaces, which could lead to more efficient chemical transformations. Mavrikakis highlights the importance of NERSC's resources in conducting density functional theory calculations and kinetic Monte Carlo simulations, which have led to significant insights into the energetics of atom ejection and cluster formation in catalytic reactions.
