Xiang Sun

Assistant Professor of Chemistry at NYU Shanghai

Email: xiang.sun@nyu.edu
Lab Group: https://wp.nyu.edu/xiangsun

Xiang Sun received his B.S. in chemical physics from University of Science and Technology of China in 2008 and his Ph.D. in chemistry from Brown University in 2014. He did his postdoctoral research at the University of Michigan from 2014 to 2017. He is now an assistant professor of chemistry at NYU Shanghai. 

Professor Sun is interested in developing theoretical and computational methods for modeling chemical dynamics in complex molecular systems such as liquids, surfaces, biological molecules, and nanomaterials. A fundamental goal is to obtain a molecular-level understanding of how electronic and vibrational excitation can influence the mechanisms and outcomes of chemical reactions at the atomistic level. 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. The Sun group is focused on developing mixed quantum-classical and semiclassical approaches for nonadiabatic dynamics with the help of the path integral formalisms, electronic structure theories, and statistical mechanics. These approaches will allow us to gain a deeper understanding of charge and energy transfer dynamics in light-harvesting complexes and organic photovoltaic materials. Having an insight into the quantum dynamics would also help us understand the molecular lessons of nonlinear ultrafast spectroscopies.

Areas of Research
Theoretical Chemistry, Quantum Dynamics, Statistical Mechanics, Ultrafast Spectroscopy

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

Selected Publications