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