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Dr. Xijun Wang is a Specially Appointed Professor at University of Science and Technology of China. His group develops data-driven and physics-grounded methods—combining machine-learning interatomic potentials, molecular dynamics/Monte Carlo, and quantum chemistry—to understand and design porous materials and heterogeneous catalysts. Current interests include CO2 capture and conversion, methane activation, and photo/electro/thermo-catalysis, as well as generative AI-enabled inverse design and autonomous discovery workflows.
Dr. Wang earned his Ph.D. from the University of Science and Technology of China (with Prof. Jun Jiang), was an exchange scholar at UC Santa Barbara (with Prof. Baron G. Peters), held a postdoctoral appointment at North Carolina State University (with Prof. Fanxing Li), and later worked at Northwestern University co-mentored by Prof. Randall Q. Snurr and Prof. Edward H. Sargent. He has published 100+ papers (>5,400 citations; H-index 35) and received the 2024 Outstanding Researcher Leader award at Northwestern University.