Ab Initio Conical Intersection Wavepacket Dynamics

Ab Initio Conical Intersection Wavepacket Dynamics
Topic
Ab Initio Conical Intersection Wavepacket Dynamics
Date & Time
Friday, December 13, 2024 - 09:00 - 10:00
Speaker
Bing Gu, Westlake University
Location
Room S302, NYU Shanghai New Bund Campus & Hosted via Zoom

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Abstract:  

Ultrafast spectroscopy provides a direct means to monitor real-time photochemical events in the femtosecond timescale. The key to understanding such experiments is to model the coupled electron-nuclear motion when the nuclear wavepacket passes through conical intersections - the region where two or more electronic states become degenerate. I will discuss our recent efforts in developing a novel local diabatic representation for the correlated electron–nuclear wave packet dynamics through conical intersections. This new framework captures all nonadiabatic effects, including electronic transitions, coherence, and geometric phases.

Biography:

Dr. Bing Gu is currently an Assistant Professor in the Department of Chemistry at Westlake University. He graduated from the Department of Chemical Physics at the University of Science and Technology of China in 2011. He received a Ph.D. in Theoretical Chemistry from the University of South Carolina in 2016 under the supervision of Professor Sophya Garashchuk. From 2016 to 2018, he worked as a postdoctoral fellow in the group of Ignacio Franco at the University of Rochester. From 2018 to 2022, he worked on nonlinear spectroscopy and molecular polaritons in the group of Professor Shaul Mukamel at the University of California, Irvine.

He received the Young Investigator Award from the American Chemical Society Division of Chemical Physics in 2018 and the Lindau Nobel Laureate Meeting Fellowship in 2021. He is currently a member of the Early Career Board of Journal of Chemical Theory and Computation.

Seminar Series by the NYU-ECNU Center for Computational Chemistry at NYU Shanghai 

This event is open to the NYU Shanghai, NYU, ECNU community and the computational chemistry community.