报告人：孙兆茹 上海科技大学物质学院

时　间：4月25日（星期四）9:00

地　点：知新楼C座10楼报告厅

邀请人：马衍东 教授

摘　要：

The nature of the hydrogen bond (H-bond) network in water continues to occupy a special place at the center of scientific interest. Recently, high-resolution x-ray absorption spectroscopy (XAS) has emerged as a powerful experimental technique to probe the structure of water at molecular scale. The unambiguous assignments of the XAS spectral features to the underlying H-bond structures are prerequisites for the physical interpretation of the experimental spectra. Furthermore, the precise picture of van der Waals interaction, exact exchange, and nuclear quantum effects on the XAS spectrum at the molecular level remains elusive. Here we will address these questions by using advanced first-principles methods including both the modeling of the molecular structure of liquid water and the electron-hole excitation process.

报告人简介：

Dr. Zhaoru Sun received her B.S. in physics from Shandong University in 2009 and Ph.D. from Peking University in 2014 (supervised by Prof. Enge Wang and Prof. Limei Xu). After four years experience working as a postdoc in Temple University, She started as an assistant professor at ShanghaiTech University from 2018. Her research interests include DFT, MD and X-ray absorption spectra modeling focusing on the understanding of hydrogen bonds in water, ice and organic materials.