معرفی
Professor JR Schmidt of the University of Wisconsin-Madison Department of Chemistry serves as Associate Chair for the Undergraduate Program. His research spans theoretical and computational chemistry with applications to energy materials, heterogeneous catalysis, and electrocatalysis. The Schmidt group develops next-generation force fields for materials simulation, microkinetic modeling tools, and QM/MM approaches for complex systems.
- Ph.D. from University of Wisconsin-Madison (2006)
- Postdoctoral work at Yale University
Research focuses on computational modeling of ZIFs and MOFs for CO2 sequestration, density functional theory analysis of catalytic systems, and solvent effects in heterogeneous catalysis. The group's methodological innovations include reactive force fields, NBO analysis for periodic systems, and machine learning techniques for high-throughput screening.
Recent publications highlight electrochemical hydrogenation mechanisms (2025), microkinetic modeling of H2O2 selectivity (2025), and solvation corrections at metal/water interfaces (2024). The group maintains active software development through the open-source Micki microkinetic modeling platform and WebMO educational interface for computational chemistry.
