报告题目： Large scale first principle calculations for material research

报 告 人：汪林望 研究员（中国科学院半导体研究所）

报告时间：2023年4月19日（周三）上午10:00

报告地点：beat365体育官方网站新楼5楼多功能厅

报告摘要：

First principles calculations have been used in every aspects of material research. In this talk, I will discuss some of our recent effort in methodology developments, especially in large scale simulations and electronic dynamics. In the area of large scale simulation, I will discuss the calculation of shallow doping level in semiconductor, and large scale electronic device simulation. In electronic dynamics, I will discuss the use of real-time TDDFT to simulate different phenomena, and nonadiabatic molecule dynamics. Finally, I will discuss the use of machine learning force field to simulate large systems for long time scale.

报告人简介：

Lin-Wang Wang received his Ph.D. degree at Cornell University at 1991. He worked in Cornell University (1991-1992) and National Renewable Energy Lab (1992-1995) as a postdoc and then in Biosym/Molecular Simulations Inc. (1995-1996) and National Renewable Energy Laboratory (1996-1999) as a staff scientist. In 1999-2021, he has worked in Lawrence Berkeley National Laboratory as a senior staff scientist. He is now a chief scientist in Institute of Semiconductor of CAS. His research interests mainly focus on the development of ab initio electronic structure calculation methods and the applications of these methods in materials design and discovery.

邀 请 人：袁声军 教授