题 目：The phonon transport properties of two-dimensional materials: from first-principles to machine learning
报告人：刘惠军（武汉大学，教授）
时 间：2026 年 6 月 13 号（星期六上午）9:30
地 点：物理学院 LE201
邀请人：周字桢
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 (κL). In fact, κL plays a quite important role in various application scenarios, such as heat dissipation, thermoelectric conversion and thermal barrier coatings. It is therefore of great importance to quickly and accurately evaluate the κL 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 κL of monolayer systems by machine learning.
刘惠军，武汉大学教授、博导。1995年及1998年在武汉大学分别获学士和硕士学位，2003年在香港科技大学获博士学位，2008年入选教育部“新世纪优秀人才支持计划”，2012年在美国University of Pittsburgh进行访问研究。长期从事计算凝聚态物理、计算材料科学的研究工作，特别是从第一性原理出发对材料的性质进行计算和设计新材料。目前担任国际学术期刊Scientific Reports、Materials、AI Materials编委。先后主持了多项国家自然科学基金项目，并作为主要学术骨干参与了两项国家973计划项目。研究成果在Physical Review Letters、Physical Review B、Advanced Energy Materials、Energy & Environmental Science、Materials Today Physics等期刊上发表论文140余篇。