汤富杰副教授 [厦门大学]

Title: The microscopic world of water - theoretical calculations reveal the mystery of its structure

Time: 9:30 - 11:00 AM, August 16, 2024

Language: Chinese presentation with English slides

Place: Onsite：Conference room 410, HPSTAR (SH）

Online:  https://meeting.tencent.com/dm/J30u3exVyEdn  #Meeting ID：451-525-624

Hosts:  Qingyang Hu，Hongliang Dong

Abstract:

Water science is one of the holy grails of physics. There have been numerous long-standing controversies regarding water due to insufficient or even lacking theoretical tools, which have restricted the resolution of these issues. To this end, we have developed high-precision computational spectroscopic methods together with the multi-scales modeling methods to study the structure and dynamics of water: 1) We developed algorithms for X-ray absorption spectroscopy to study water, clarifying debates in the field on the microscopic structure of water that have persisted for over a decade. 2) Regarding the interface between water and ice/air, we proposed a definition for interface water with free OH groups, discovered orientation functions to describe such molecules, and corrected long-standing erroneous assumptions in the field. We also identified microscopic mechanisms such as surface heating-induced melting and surface sliding of ice. 3) We proposed new viewpoints on structured confined water. In the future, we will further develop theoretical spectroscopic algorithms for water in complex environments. We aim to advance precise computational methods combining artificial intelligence and first-principles approaches in multimodal spectroscopy.

Biography of the Speaker:

Dr. Fujie Tang graduated from the School of Physics at Peking University in 2013 with a bachelor's degree. He obtained his doctoral degree in 2018 under the supervision of Prof. Limei Xu in Peking University. In 2016, he was a visiting student at the Max Planck Institute for Polymer Research in Germany, working with Dr. Yuki Nagata and Prof. Mischa Bonn. After completing his PhD, he moved to Temple University and Princeton University in Oct. 2018 for postdoctoral research under the supervision of Prof. Xifan Wu and Prof. Roberto Car. In Jan. 2024, He joined Xiamen University as an associate professor.