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Dynamics and Algorithms for Saddle Points in Transition-State Calculations

作者:   时间:2026-10-26   点击数:

报告题目:Dynamics and Algorithms for Saddle Points in Transition-State Calculations


报告人:周翔,香港城市大学


报告时间:2026/10/30 10:00-12:00


报告摘要:This talk reviews algorithms for computing saddle points on potential energy surfaces, which serve as transition states for overdamped Langevin dynamics in the small-noise limit. We will cover continuous-time formulations, iterative optimization schemes, and Gaussian process regression approaches for estimating free energies, along with representative applications.


报告人简介:Dr. Xiang Zhou is an Associate Professor in the Department of Mathematics at City University of Hong Kong. Prior to joining CityU in 2012, he was a Research Associate at Princeton University and Brown University. His research focuses on rare events and the development of computational methods for stochastic models and machine-learning algorithms. His work includes transitions in nonlinear stochastic dynamical systems, stochastic simulation, transition-state/saddle-point computations, and the exploration of high-dimensional, nonconvex energy landscapes.


会议方式:线上,腾讯会议:903-506-094


邀请人:郑祥成 研究员

地址:中国山东省济南市山大南路27号   邮编:250100  

电话:0531-88364652  院长信箱:sxyuanzhang@sdu.edu.cn

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