From the group

News

Zailing's paper on coarse-grained NAMD is accepted by JCTC!

Congrats, Zailing's paper on coarse-grained NAMD for photoinduced charge transfer in condensed-phase systems has been accepted by JCP!

Zengkui receives Inaugural NYU Shanghai Outstanding PhD Dissertation Award!

Zengkui on receiving the Inaugural NYU Shanghai Outstanding PhD Dissertation Award! In recognition of his brilliant work, he will each receive a monetary prize of RMB 5,000, along with a formal certificate commemorating this inaugural honor.

Xiang gives invited talk in Path Integral Quantum Mechanics, CECAM Flagship School

Xiang gives a talk on Semiclassical Methods for Photoinduced Charge Transfer in the Path Integral Quantum Mechanics in the Era of Machine Learning (PIQM 2026), CECAM Flagship School, July 19-23, 2026 at Shanghai, China.

Welcome summer researcher Jiarui!

We are pleased to welcome Jiarui Chang to our group for a summer research project. We look forward to having Jiarui join the team and contribute to our ongoing research. Welcome!

Hao receives 2025 and 2026 N.E.T. Research Excellence Award!

Congrats, Hao on receiving the 2025 and 2026 N.E.T. Research Excellence Award! N.E.T. program is our NYU Shanghai - ECNU Joint Graduate Training Program. The award provides awardee a prize of RMB 12,000 (pre-tax). There is a related newspiece Advancing Methods for Quantum Dynamics Research on NYU Shanghai website.

Xiang received tenure and promotion to Associate Professor of Chemistry and Physics!

Xiang received tenure and promotion to Associate Professor of Chemistry and Physics!

Xiang gives invited talk in Frontier Symposium on AI‑Driven Spectroscopy and Dynamics

Xiang gives a talk on Atomistic Simulation of Ultrafast Spectroscopy in Liquid Solution in the Frontier Symposium on AI‑Driven Spectroscopy and Dynamics, organized by Fudan University, July 27-28, 2026 at Shanghai, China.

Our review paper on IMT is accepted by WIREs Comput Mol Sci!

Our invited review paper on Instantaneous Marcus Theory (IMT) for photoinduced charge transfer has been accepted by Wiley Interdisciplinary Reviews in Computational Molecular Science!