معرفی
Xiang Sun is an Assistant Professor of Chemistry at NYU Shanghai and a Global Network Assistant Professor in the Department of Chemistry at NYU's Faculty of Arts and Science. He holds a PhD in Chemistry from Brown University (201?) and a BS in Chemical Physics from the University of Science and Technology of China. Prior to his current role, he was a postdoctoral research fellow at the University of Michigan.
His research focuses on developing theoretical and computational methods to model chemical dynamics in complex molecular systems, including liquids, surfaces, biomolecules, and nanomaterials. Central to his work is understanding how electronic and vibrational excitation influences reaction mechanisms at the atomic level. Key areas of interest include quantum dynamics, statistical mechanics, ultrafast spectroscopy, and machine learning applications in chemistry.
Professor Sun’s research has produced notable contributions to charge transfer dynamics, nonadiabatic processes, and the design of computational tools like PyCTRAMER and Libra. His work bridges theoretical frameworks (e.g., Marcus theory, Fermi’s golden rule) with advanced numerical methods, enabling detailed studies of photoinduced reactions, organic photovoltaics, and solvation effects.
His publications span topics such as semiclassical modeling, neural network-based predictions for long-term dynamics, and structural-property relationships in organic materials. Notable collaborations involve investigations into molecular triads, aggregation-induced phosphorescence, and interfacial charge transfer in photovoltaic systems.
No awards or grants are explicitly listed in the provided text. While no advisees are mentioned, his courses include Foundations of Chemistry, Advanced Statistical Mechanics, and Quantum Chemistry, reflecting his teaching expertise in core chemical principles and advanced theoretical methods.
