时间：2022年9月29日（周四）下午16:00-17:30

Time:16:00-17:30, Thursday, Sept. 29th, 2022 

主持人： 西湖大学理学院PI 窦文杰博士

Host: Dr. Wenjie Dou, PI of School of Science, Westlake University  

地点：西湖大学云谷校区学术环E10-201阶梯教室

Venue: Room E10-201, Yungu Campus, Westlake University  

谢代前教授，南京大学化学化工学院，南京大学理论与计算化学研究所

Prof. Daiqian Xie, School of Chemistry and Engineering, Institute of Theoretical and Computational Chemistry Nanjing University

主讲人简介/Biography:

谢代前，南京大学特聘教授，博士生导师，国家杰出青年基金获得者，国家自然科学基金重点项目和重大课题主持者。1983年6月在四川大学获理学学士学位，1988年12月在吉林大学获理学博士学位，师从唐敖庆教授。研究领域为理论与计算化学，在高精度分子势能面的构建及量子动力学研究方面取得较好进展，揭示了若干重要反应过程的微观动力学机制，已在包括Science (3 篇,与实验合作）)、Nature(1 篇,与实验合作）)、PNAS (4篇) )、J. Am. Chem. Soc.(5篇)、Nature Comm.(4篇) 在内的国际学术期刊上发表论文350余篇。曾获中国化学会青年化学家奖（1998）、教育部高校青年教师奖（2002）。

Professor Xie received a doctorate degree in physics chemistry from the Institute of Theoretical Chemistry, Jilin University in 1988. In 2008, he got the Outstanding Young Chemist Award of Chinese Chemical Society.In 2002,he was awarded the 3rd Ministry of Education Young Teachers Award. In 2007,he was honored with the National Science Fund for Distinguished Young Scholars. He has made important achievements in the construction of high precise molecular potential energy surface and state-to-state reaction dynamics,which revealled a number of important microscopic mechanisms.He has published more than 300 papers, including three on Science (collaborated with experimentalists),two on PNAS, three on JACS and one on Chem. Sci., Inter. Rev. Phys.

讲座摘要/Abstract:

分子间碰撞传能是基本的化学过程之一，在大气化学、化学激光、星际化学和燃烧过程等重要领域都有广泛的应用。将介绍我们新近发展的高效的包含近邻耦合的非含时传能动力学新方法，获得了HF化学激光器中重要的H2–HF和HF–HF传能过程的速率常数等态-态动力学性质，并与统计量子模型结合研究了超冷分子反应KRb+KRb等体系的量子动力学，揭示了新的微观动力学机制。

The energy transfer process through inter-molecular collisions is one of the most fundamental processes in chemical dynamics, with wide applications in a variety of chemical systems, including but not limited to atmosphere chemistry, laser and spectroscopy, interstellar chemistry and chemical combustions. In this talk, I will introduce our newly developed time-independent dynamical method to treat nearest coupling effectively and accurately. When applying our method to study the energy transfer process in a HF laser, we obtain accurate state-to-state transition dynamics for H2-HF and H2-HF collisions, such as the reaction/transition rate. Furthermore, combined with quantum statistical mechanics, we use our method to study the quantum dynamics of ultra-cold atoms/molecules, such as KRb+KRb reaction. Our study reveals new reaction mechanism in such micro systems.

讲座联系人/Contact:

理学院 陈艳艳，邮箱：chenyanyan@westlake.edu.cn

School of Science, Yanyan Chen, Email: chenyanyan@westlake.edu.cn