【大学频道】中国科学院大学卡弗里理论科学研究所呈献 | 北京大学李新征副教授
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图 | 李新征
题 目:The quantum nature of nuclei and its influence报告人:李新征
单 位:北京大学
时 间:2019-05-31
地 点:中国科学院大学
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报告提纲
Molecules and condensed matters are entities composed by interacting electrons and nuclei. Therefore, an ideal computer simulation needs to address both the electronic and the nuclear systems accurately, as well as their couplings. Compared with the more and more accurate quantum treatments of the interacting electronic systems, theoretical descriptions of the nuclei still largely remain at the classical level. In this talk, we will explain our recent invesitigations on the quantum nature of hydrogen bonds, H tunneling mechanisms, and optical reflectances. The basic technique we use is ab initio path-integral molecular dynamics. To accomadate the requirements associated with some specific problems, it was combined with different computer simulation methods in each case.
个人简介
李新征,北京大学长聘副教授。2000年、2003年、2008年,分别在武汉大学物理系、中科院半导体所夏建白院士研究组、德国马普学会Fritz-Haber研究所Matthias Scheffler教授研究组获学士、硕士、博士学位。2008-2011年为伦敦大学学院Angelos Michaelides教授研究组博士后。2012年2月加入北京大学物理学院,2017年底取得tenure,长期从事凝聚态计算领域一些计算方法的发展与应用研究。END
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