NERSCPowering Scientific Discovery for 50 Years

Manos Mavrikakis to Deliver May 20 NERSC@50 Seminar

May 9, 2024


Manos Mavrikakis of the University of Wisconsin-Madison, a NERSC user for 24 years, presents on Monday, May 20 at 1:30 p.m. PDT on Zoom.

The NERSC@50 seminar series celebrating NERSC’s 50th anniversary continues Monday, May 20, at 1:30 p.m. PDT. Manos Mavrikakis of the University of Wisconsin-Madison discusses the reaction-driven formation of novel active sites on catalytic surfaces.

Manos Mavrikakis is the Ernest Micek Distinguished Chair, James A. Dumesic Professor, and Vilas Distinguished Achievement Professor at the University of Wisconsin-Madison. He has been a NERSC user for more than 24 years.

The NERSC@50 seminar series features users, both past and current, presenting exciting and important research enabled by NERSC systems.

Of Mavrikakis’s research, he said: “Adsorption of reactants and reaction intermediates on solid catalytic surfaces can lead to significant changes of the surface structure, including, as shown in high-pressure Scanning Tunneling Microscopy (STM) experiments, ejection of metal atoms and formation of metal clusters while the reaction is taking place. Depending on the specific system, these clusters provide new, more favorable reaction paths than the typically considered active sites. First-principles computations coupled with kinetic Monte Carlo simulations, all performed at large scale on NERSC resources, enable a more realistic picture of the catalyst’s surface and its active sites as a function of reaction conditions and the identity of reactants and that of key intermediates. Insights derived from our analysis can inform the design of new catalysts with improved activity, selectivity, and stability characteristics.”

NERSC@50 seminars are open to Berkeley Lab staff, NERSC users, and the public.

About NERSC and Berkeley Lab
The National Energy Research Scientific Computing Center (NERSC) is a U.S. Department of Energy Office of Science User Facility that serves as the primary high performance computing center for scientific research sponsored by the Office of Science. Located at Lawrence Berkeley National Laboratory, NERSC serves almost 10,000 scientists at national laboratories and universities researching a wide range of problems in climate, fusion energy, materials science, physics, chemistry, computational biology, and other disciplines. Berkeley Lab is a DOE national laboratory located in Berkeley, California. It conducts unclassified scientific research and is managed by the University of California for the U.S. Department of Energy. »Learn more about computing sciences at Berkeley Lab.