Towards the efficient and robust numerical methods for Kohn-Sham equation

题目：Towards the efficient and robust numerical methods for Kohn-Sham equation

报告人：胡光辉（澳门大学）

时间：11月27日 下午15:00-16:00

地点：逸夫工商楼105

题目：Towards the efficient and robust numerical methods for Kohn-Sham equation

摘要：In this talk, we will introduce our recent work on the adaptive finite element framework for Kohn-Sham density functional theory. The background of Kohn-Sham DFT, as well as the challenges in developing robust and efficient numerical methods will be briefly described. In our work, an h-adaptive finite element framework has been proposing, and several numerical techniques such as the algebraic multigrid method, imaginary time propagation preconditioning, and multilevel correction, has been successfully applied on the algorithm towards the efficiency and robustness. A variety of numerical experiments will be demonstrated to show the effectiveness of our method.

联系人：赖俊 laijun6@zju.edu.cn