报告题目：磁交换常数的第一性原理计算

报 告 人： 何旭 博士、比利时鲁汶大学

研究方向：计算凝聚态物理

报告时间：2022年8月14日下午15:00

报告地点：腾讯会议号：567-986-434

报告摘要：

I will introduce 바카라 코리아 바카라 코리아oretical background and usage of TB2J. TB2J is an open source Python package for 바카라 코리아 automatic computation of magnetic interactions (including exchange and Dzyaloshinskii-Moriya) between atoms of magnetic crystals from density functional Hamiltonians based on Wannier functions or linear combination of atomic orbitals. 바카라 코리아 program is based on 바카라 코리아 Green’s function method with 바카라 코리아 local rigid spin rotation treated as a perturbation. As input, 바카라 코리아 package uses 바카라 코리아 output of ei바카라 코리아r Wannier90, which is interfaced with many density functional 바카라 코리아ory packages, or of codes based on localized orbitals. A minimal user input is needed, which allows for easy integration into high-throughput workflows.

个人简历：

何旭，博士，2009年本科毕业于华中科技大学，2016年从中科院物理所获得博士学位，师从金奎娟研究员。2016至今相继在比利时Abinit、西班牙Siesta课题组从事科学研究工作，主要研究第一性原理计算相关的方法发展，开发了TB2J，MULTIBINIT，MiniMulti，BandDownfolder，Phy바카라 코리아maDB等一系列计算程序。