Assistant Professor of Chemistry, NYU Shanghai
Global Network Assistant Professor, NYU
State Key Laboratory of Precision Spectroscopy, ECNU
Pudong Campus: Room 1262-1, NYU Shanghai, 1555 Century Avenue, Pudong New Area, Shanghai 200122
Office Phone: (+86) 21-2059 6163
Zhongbei Campus: Room 169, Geography Building, ECNU, 3663 Zhongshan Road North, Putuo Area, Shanghai 200062
Office Phone: (+86) 21-2059 5990
Xiang Sun is an Assistant Professor of Chemistry at NYU Shanghai. Prior to joining NYU Shanghai, he was a postdoctoral research fellow at the University of Michigan, Ann Arbor and a visiting scholar at the University of California, San Diego. He holds a Ph.D. in Chemistry from Brown University and a B.S. in Chemical Physics from the University of Science and Technology of China (USTC).
Professor Sun is interested in photoinduced chemical dynamics in complex molecular systems such as liquid solutions, surfaces, and functional nanomaterials. A fundamental goal is to obtain a molecular-level understanding of how electronic and vibrational excitation influence the mechanisms, outcomes, and spectroscopic signatures of chemical dynamics in the condensed phase. Since electronic and vibrational relaxation usually has a quantum nature, it is highly desirable to have methods that accurately describe the relevant quantum dynamical effects, while still being computationally feasible for large-scale systems like classical methods do. The Sun group is focused on developing semiclassical and mixed quantum-classical methods for understanding dynamics following molecular excitation with the help of statistical mechanics, electronic structure theories, and Feynman’s path integral formalism. Having an insight into the many-body dynamics helps us learn the molecular lessons of ultrafast nonlinear spectroscopies and gain a deeper understanding of charge and energy transfer dynamics in light-harvesting molecules and organic photovoltaic materials.
Areas of Research
Quantum Dynamics, Statistical Mechanics, Charge and Energy Transfer, Ultrafast Nonlinear Spectroscopy, Liquid Dynamics
Ph.D. in chemistry, Brown University, 2014
M.A. in chemistry, Brown University, 2010
B.S. in chemical physics, University of Science and Technology of China, 2008
- Ellen Mulvihill, Alexander Schubert, Xiang Sun, Barry D. Dunietz, and Eitan Geva, A Modified Approach for Simulating Electronically Nonadiabatic Dynamics via the Generalized Quantum Master Equation, J. Chem. Phys. 150, 034101 (2019).
- Xiang Sun, Pengzhi Zhang, Yifan Lai, Kyle L. Williams, Margaret S. Cheung, Barry D. Dunitz, Eitan Geva, Computational Study of Charge-Transfer Dynamics in the Carotenoid–Porphyrin–C60 Molecular Triad Solvated in Explicit Tetrahydrofuran and Its Spectroscopic Signature, J. Phys. Chem. C 122, 11288-11299 (2018).
- Alexei A. Kananenka, Xiang Sun, Alexander Schubert, Barry D. Dunietz and Eitan Geva, A Comparative Study of Different Methods for Calculating Electronic Transition Rates, J. Chem. Phys. 148, 102304 (2018).
- Xiang Sun and Eitan Geva, Nonequilibrium Fermi’s Golden Rule Charge Transfer Rates via the Linearized Semiclassical Method, J. Chem. Theory Comput. 12, 2926-2941 (2016).
- Xiang Sun and Eitan Geva, Equilibrium Fermi’s Golden Rule Charge Transfer Rate Constants in the Condensed Phase: The Linearized Semiclassical Method vs Classical Marcus Theory, J. Phys. Chem. A 120, 2976-2990 (2016).
- Xiang Sun, Branka M. Ladanyi, and Richard M. Stratt, Effects of Electronic-state-dependent Solute Polarizability: Application to Solute-Pump/Solvent-Probe Spectra, J. Phys. Chem. B, 119, 9129-9139 (2015).