姓 名:刘惠军
单 位:hq环球体育
职 称:教授、博士生导师
学 历:博士
E-mail:phlhj@whu.edu.cn
一、个人简介
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。2003年至2004年在香港科技大学进行访问研究,2004年加入hq环球体育任副教授,2006年被遴选为博士生导师,2007年底晋升为教授,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。现任中国材料研究学会计算材料学分会副秘书长、国际学术期刊Scientific Reports编委会成员。
二、研究领域
高性能电脑的快速发展,使我们对很多以前无法处理的问题变成了可能,计算物理在凝聚态物质和材料科学的研究中更是奇兵突出,对很多现象提供了相当准确的解释和预测。基于物理学基本原理的数值计算和模拟已经成为将理论物理和实验物理紧密联系在一起的重要桥梁,它不仅能够弥补简单的解析理论模型难以完全描述复杂物理现象的不足,而且可以克服实验物理中遇到的诸多困难,例如模拟实验上目前尚不能实现或技术条件要求很高、实验代价昂贵的物理系统等。The computer is a tool for clear thinking!
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本课题组主要是利用多尺度计算方法(multiscale computation)对材料、特别是各类新材料的物理、化学性质进行计算机模拟以及设计新材料,目前的研究方向包括:
1、低维或纳米材料(纳米管、纳米线等)的电子、声子、掺杂和其它物理化学特性。
2、能源材料(热电材料、锂离子电池、储氢材料等)的电子、声子、输运特性。
3、拓扑材料(拓扑绝缘体、拓扑半金属等)的快速预测和高通量筛选。
4、机器学习及其在物理学和材料科学研究中的应用。
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三、学术成果
1. Accelerated discovery of advanced thermoelectric materials via transfer learning, Mengke Li, Hongmei Yuan, Yufeng Luo, Xiaoyi Ma, Huijun Liu, Wentao Jiang, Ying Fang, Advanced Energy Materials 13, 2300049 (2023).
2. Predicting the lattice thermal conductivity of alloyed compounds from the perspective of configurational entropy, Mengke Li, Guohua Cao, Yufeng Luo, Caiyu Sheng, Huijun Liu, npj Computational Materials 8, 75 (2022).
3. Machine learning for accelerated prediction of the Seebeck coefficient at arbitrary carrier concentration, Hongmei Yuan, Shihao Han, Rui Hu, Wenyan Jiao, Mengke Li, Huijun Liu, Ying Fang, Materials Today Physics 25, 100706 (2022).
4. Decoupling thermoelectric transport coefficients of Dirac semimetal Na2AgSb with intrinsically ultralow lattice thermal conductivity, Shihao Han, Zizhen Zhou, Caiyu Sheng, Rui Hu, Hongmei Yuan, Qinghang Tang, Huijun Liu, Materials Today Physics 21, 100560 (2021).
5. Artificial intelligence for high-throughput discovery of topological insulators: the example of alloyed tetradymites, Guohua Cao, Runhai Ouyang, Luca M. Ghiringhelli, Matthias Scheffler, Huijun Liu, Christian Carbogno, Zhenyu Zhang, Physical Review Materials 4, 034204 (2020).
6. High thermoelectric performance in the hexagonal bilayer structure consisting of light boron and phosphorus elements, Z. Z. Zhou, H. J. Liu, D. D. Fan, G. H. Cao, C. Y. Sheng, Physical Review B 99, 085410 (2019).
7. Rhombohedral Sb2Se3 as an intrinsic topological insulator due to strong van der Waals inter-layer coupling, Guohua Cao, Huijun Liu, Jinghua Liang, Long Cheng, Dengdong Fan, Zhenyu Zhang, Physical Review B 97, 075147 (2018).
8. Thermoelectric properties of γ-graphyne from first-principles calculations, P.H. Jiang, H.J. Liu, L. Cheng, D.D. Fan, J. Zhang, J. Wei, J.H. Liang, J. Shi, Carbon 113, 108 (2017).
9. Maximizing the thermoelectric performance of topological insulator Bi2Te3 films in the few-quintuple layer regime, Jinghua Liang, Long Cheng, Jie Zhang, Huijun Liu, Zhenyu Zhang, Nanoscale 8, 8855 (2016).
10. Graphdiyne: A two-dimensional thermoelectric material with high figure of merit, L. Sun, P.H. Jiang, H.J. Liu, D.D. Fan, J.H. Liang, J. Wei, L. Cheng, J. Zhang, J. Shi, Carbon 90, 255 (2015).
11. Effects of van der Waals interactions and quasiparticle corrections on the electronic and transport properties of Bi2Te3, L. Cheng, H.J. Liu, J. Zhang, J. Wei, J.H. Liang, J. Shi, X.F. Tang, Physical Review B 90, 085118 (2014).
12. Thermoelectric properties of small diameter carbon nanowires, X.J. Tan, H.J. Liu, J. Wei, J. Shi, X.F. Tang, C. Uher, Carbon 53, 286 (2013).
13. Multiscale calculations of thermoelectric properties of n-type Mg2Si1-xSnx solid solutions, X.J. Tan, W. Liu, H.J. Liu, J. Shi, X.F. Tang, C. Uher, Physical Review B 85, 205212 (2012).
14. Convergence of conduction bands as a means of enhancing thermoelectric performance of n-type Mg2Si1-xSnx solid solutions, W. Liu, X.J. Tan, K. Yin, H.J. Liu, X.F. Tang, J. Shi, Q.J. Zhang, C. Uher, Physical Review Letters 108, 166601 (2012).
15. Enhanced thermoelectric performance of (Sb0.75Bi0.25)2Te3 compound from first-principles calculations, H.Y. Lv, H.J. Liu, L. Pan, Y.W. Wen, X.J. Tan, J. Shi, X.F. Tang, Applied Physics Letters 96, 142101 (2010).
16. Isomorphous substitution of AlPO4-5: a density functional study, H.J. Liu, Y.W. Wen, L. Miao, J. Shi, Applied Physics Letters 92, 143115 (2008).
17. Adsorption pathways of singlet O2 on 4 Å carbon nanotubes, H.J. Liu, C.T. Chan, Physical Review B 73, 113405 (2006).
18. Density functional study of oxygen adsorption on 4-Å carbon nanotubes, H.J. Liu, C.T. Chan, Z.Y. Liu and J. Shi, Physical Review B 72, 075437 (2005).
19. Carbon nanotube-zeolite complex: a Li-intercalated compound with high storage capacity, H.J. Liu, Z.M. Li, Q. Liang, Z.K. Tang, C.T. Chan, Applied Physics Letters 84, 2649 (2004).
20. Properties of 4 Å carbon nanotubes from first-principles calculations, H.J. Liu, C.T. Chan, Physical Review B 66, 115416 (2002).
四、讲授课程
主讲两门本科生的专业基础课:
1. 《固体物理学》
2. 《热力学与统计物理学》
五、招生专业
目前在凝聚态物理、材料物理与化学、纳米科学与技术、计算物理、电子科学与技术、微电子科学与工程等专业招收博士和硕士研究生、以及博士后研究人员。欢迎加盟!