STU-GTIIT光学论坛（No.52）
报告地点：at Room 202 in the building of college of science, STU
报告时间：2025年11月3日 13:00
报告题目: First-principles and machine learning studies on the lattice thermal conductivities of two-dimensional materials
报 告 人：Huijun Liu(School of Physics and Technology, Wuhan University,Wuhan 430072, China)
报告摘要：
The successful preparation of graphene has opened a new era in the study of two-dimensional (2D) materials. Compared with the electronic properties, the phonon transport properties of 2D materials are less known, especially for the lattice thermal conductivity (
). In fact, plays a quite important role in various application scenarios, such as heat dissipation, thermoelectric conversions and thermal barrier coatings. It is therefore of great importance to quickly and accurately evaluate the of various 2D materials, as well as find effective methods to manipulate them. In this talk, we combine first-principles calculations and Boltzmann transport theory to investigate the thermal transport properties of the Janus SnXY (X, Y = O, S, Se) monolayers. Besides, a high-throughput model is proposed to readily and accurately predict the of monolayer systems by machine learning method. In addition, using Janus SnSSe as a prototypical example, we develop accurate machine learning interatomic potential, which is then combined with Boltzmann transport equation to study the effects of interlayer twisting on the .
报告人简介：
Huijun Liu is a Professor and PhD supervisor at Wuhan University. He obtained his Bachelor's and Master's degrees from Wuhan University in 1995 and 1998, respectively. In 2003, he was admitted to the PhD degree by the Hong Kong University of Science and Technology. In 2008, he was selected into the "Program for New Century Excellent Talents in University" initiated by the Ministry of Education. In 2012, he visited the University of Pittsburgh as a senior research scholar. Prof. Liu's research works focus on applications of first-principles, molecular dynamics, machine learning and related methods to study the structural, electronic, transport, and other physical properties of novel energy materials. He serves as deputy secretary-general of the computational materials science branch of the Chinese materials research society, and editorial board member of international journals including Scientific Reports, Materials, and AI Materials. He is the PI of multiple NSFC projects and participated in two National 973 Program projects, and published over 140 peer-reviewed papers in top journals such as Physical Review Letters, Physical Review B, Advanced Energy Materials, Applied Physics Letters, and Materials Today Physics.
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理学院
2025年10月29日
