学术讲座
报告题目：Semiclassical Molecular Dynamics and its applications
报告时间：2026-07-18 10:00
报告人： Michele Ceotto教授
University of Milan, Italy
报告地点：曾呈奎楼B312
报告摘要：
After a brief introduction about semiclassical methods for spectroscopy and reaction rates, I will present a series of applications to spectra calculations and chemical reaction rate constants.Specifically, I will show how the semiclassical initial value representation approximation to the quantum propagator is a valid tool for reproducing quantum nuclear effects in complex, i.e. many dimensional, systems, ranging from biomolecules, to molecules adsorbed on surfaces and molecules solvated in water.In addition, heavy atom tunneling contributions will be presented and it will be discussed if quantum nuclear effects persist after solvation.
报告人简介：
Michele Ceotto is Professor of Università degli Studi di Milano. He received his Ph.D. in Chemistry from the University of California, Berkeley, and completed his postdoctoral research at the University of Utah under the supervision of Professor G.A. Voth. He holds dual Master’s degrees in Chemistry and Physics with full marks and top honors from Sapienza University of Rome. His research focuses on ab initio semiclassical molecular dynamics, nonadiabatic dynamics, condensed-phase spectroscopic theory, proton-coupled electron transfer, and quantum chemical simulations for complex systems.He has rich experience in leading high-level international research projects. He has served as the principal investigator of multiple prestigious funding programs, including the ERC Consolidator Grant, ERC Proof of Concept Grant, and the MIUR FARE Project. He also supervises two Marie Curie Individual Fellowship projects supported by the European Horizon Programme. His research covers theoretical and computational investigations of photocatalytic remediation, molecular spectroscopic characterization, and the development of software platforms for early disease diagnosis, achieving innovative progress in both fundamental theoretical research and practical application transformation.
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