Yang Yang

Yang Yang is an Assistant Professor of Chemistry at the University of Wisconsin-Madison, focusing on electronic structure theory and nuclear quantum effects in molecular systems. He leads the Yang Group, a theoretical and computational team specializing in the Constrained Nuclear-Electronic Orbital (CNEO) framework for accurate quantum simulations.

• B.S. in Chemistry and Physics, Peking University (2011)
• Ph.D., Duke University (2016)
• Postdoctoral Associate, University of Illinois at Urbana-Champaign and Yale University (2016–2019)

His research spans method development in multicomponent quantum theory, excited states theory, and practical quantum chemistry calculations. Recent work includes landmark papers in Journal of Chemical Theory and Computation on CNEO-based reaction rate calculations and quantum computation applications.

The Yang Group has secured NSF funding (2024) for CNEO integration into computational software. Publications emphasize nuclear quantum delocalization effects, vibrational spectra modeling, and nonadiabatic dynamics.

• NSF Grant (2024) for CNEO software integration
• Awards at 2024 ACS Fall Meeting

Current advisees include graduate students Haoran Chen, Lin Han, Zhe Liu, Yiwen Wang, and Yuzhe Zhang. The group also collaborates with postdoctoral researchers like Zehua Chen and Tanner Culpitt.