Lee-Ping Wang

Lee-Ping Wang is an Associate Professor in the Department of Chemistry at the University of California, Davis, with expertise in theoretical and computational chemistry. Their research focuses on accelerating reaction pathway discovery, understanding catalytic mechanisms, and developing advanced molecular simulation tools.

• Ph.D. in Physical Chemistry, MIT (2011)
• B.A. in Physics, University of California, Berkeley (2006)

Research interests span three major areas: (1) CO₂ reduction mechanisms in catalysts, (2) proton transfer in membrane proteins, and (3) surface reconstruction of perovskite electrocatalysts and photovoltaics. Their work integrates quantum chemistry, molecular dynamics, and machine learning to design predictive force fields and study energy conversion processes.

Recent research trends include ab initio nanoreactors for reaction discovery, polarizable force fields for accurate simulations, and quantum mechanical benchmarking to improve computational models. These efforts address challenges in renewable energy, biochemistry, and materials science.

• Scientific Award: ACS-PRF Doctoral New Investigator (2017)

They lead the Wang Group, developing computational tools like Open Force Field Evaluator and TeraChem for high-performance molecular simulations. Their publications emphasize data-driven methodologies, reaction mechanism elucidation, and interdisciplinary applications bridging chemistry and physics.