卢仲毅，304永利集团有限公司经理、教育部重点实验室主任、吴玉章讲席教授、博士生导师。2007年获国家杰出青年科学基金，2012年入选教育部长江学者特聘教授，2019年以第一完成人获国家自然科学奖二等奖（铁基超导电子结构与磁相互作用的理论研究）。长期潜心于凝聚态物质的电子结构研究和计算方法发展，迄今发表包括Nature、PRL、PRX、PRB等论文230余篇，SCI引用8500余次。(详情见研究组主页)

1996年在意大利国际高等研究院(SISSA)获得凝聚态物理学哲学博士学位

1996年~2005年先后在美国能源部Ames国家实验室、Vanderbilt大学物理系和Oak Ridge国家实验室工作。

2005年1月作为中国科公司理论物理研究所国家级高层次人才计划入选者被聘为研究员和博士生导师。

2007年1月被聘为304永利集团有限公司教授、物理系材料计算与物质模拟团队学科责任教授和召集人。

2013年5月~2024年8月担任物理学系系主任

2023年3月~至今担任“量子态构筑与测控”教育部重点实验室主任

2024年8月~至今担任304永利集团有限公司经理

1.多电子的量子理论和计算

发展和应用量子多体方法，准确刻画电子间相互作用和关联效应，并通过高效计算手段预测复杂体系的电子结构与物理性质。

2.电子结构计算

利用第一性原理或多体理论方法精确描述材料的电子结构及其与材料结构和物性之间的内在关系。

3.量子材料

聚焦于强关联、自旋—轨道耦合等量子效应，重点探索量子材料中的非常规磁性、新型拓扑物态及超导行为的形成机制及其潜在应用前景。

4.AI驱动的材料逆向设计

利用人工智能从目标性能出发自动推断并生成满足要求的材料结构与成分方案。

（详细信息见研究组主页）

人才培养

2.已毕业博士研究生24人，硕士研究生5人。（毕业生多在国内一流高校、科研院所及高新技术企业任职）

（详情见研究组主页）

1. Zhong-Yi Lu, X.G. Zhang, and S. Pantelides, Spin-dependent resonant tunneling through quantum-well states in magnetic metallicthinfilms, Phys. Rew. Lett. 94, 207210 (2005).

2. Yan Wang, Zhong-Yi Lu, X.-G. Zhang, and Xiu-Feng. Han,First-principles theory of quantum well resonance in double barrier magnetic tunnel junctions, Phys. Rev. Lett. 97, 087210 (2006).

3. Fengjie Ma, Zhong-Yi Lu, and Tao Xiang, As-bridged antiferromagnetic superexchange interactions in LaFeAsO,Phys. Rev. B 78, 224517 (2008).

4. Fengjie Ma and Zhong-Yi Lu, Iron-based layered compound LaFeAsO is an antiferromagnetic semimetal,Phys. Rev. B 78, 033111 (2008).

5. Fengjie Ma, Wei Ji, Jiangping Hu, Zhong-Yi Lu, and Tao Xiang,First-Principles Calculations of the Electronic Structure of Tetragonal α-FeTe and α-FeSe Crystals: Evidence for a Bicollinear Antiferromagnetic Order，Phys. Rev. Lett. 102, 177003 (2009).

6. Fengjie Ma, Zhong-Yi Lu, and Tao Xiang,Electronic structures of ternary iron arsenides AFe2As2 (A=Ba, Ca, or Sr), Front. Phys. China 5, 150 (2010).

7. Miao Gao, Fengjie Ma, Zhong-Yi Lu, and Tao Xiang, Surface structures of ternary iron arsenides AFe2As2 (A=Ba, Sr, or Ca), Phys. Rev. B 81, 193409 (2010).

8. Xun-Wang Yan, Miao Gao, Zhong-Yi Lu, Tao Xiang,Electronic and magnetic structures of ternary iron selenides AFe2Se2 (A=K, Cs, or Tl), Phys. Rev. B 84, 054502 (2011).

9. Xun-Wang Yan, Miao Gao, Zhong-Yi Lu, and Tao Xiang, Ternary iron selenide K0.8Fe1.6Se2 is an antiferromagnetic semiconductor, Phys. Rev. B 83, 233205 (2011).

10. Xun-Wang Yan, Miao Gao, Zhong-Yi Lu, and Tao Xiang, Electronic structures and magnetic orders of Fe-vacancies ordered ternary iron selenides TlFe1.5Se2 and AFe1.5Se2 (A=K, Rb, or Cs), Phys. Rev. Lett. 106, 087005(2011).

11. Wei Ji, Xun-Wang Yan, and Zhong-Yi Lu, Pressure- and temperature-induced structural phase transitions of CaFe2As2 and BaFe2As2 studied in the Hund's rule correlation picture, Phys. Rev. B 83, 132504 (2011).

12. Kai Liu, Zhong-Yi Lu, and Tao Xiang, Atomic and electronic structures of FeSe monolayer and bilayer thin films on SrTiO3 (001): a first-principles study, Phys. Rev. B 85, 235123 (2012).

13. Rong-Qiang He and Zhong-Yi Lu, Quantum Renormalization Groups Based on Natural Orbitals, Phys. Rev. B 89, 085108 (2014).

14. Rong-Qiang He, Jianhui Dai, and Zhong-Yi Lu, Natural Orbitals Renormalization Group Approach to the Two-Impurity Kondo Critical Point, Phys. Rev. B 91, 155140 (2015).

15. Kai Liu, Zhong-Yi Lu, and Tao Xiang, Nematic antiferromagnetic states in bulk FeSe, Phys. Rev. B 93, 205154 (2016).

16. Jian-Feng Zhang, Peng-Jie Guo, Miao Gao, Kai Liu, and Zhong-Yi Lu, β-RhPb2, a topological superconductor candidate, Phys. Rev. B 99, 045110 (2019).

17. Ru Zheng, Rong-Qiang He, and Zhong-Yi Lu, Natural orbitals renormalization group approach to a Kondo singlet, Sci. China Phys. Mech. Astron. 63, 297411 (2020).

18. Peng-Jie Guo , Yi-Wen Wei, Kai Liu, Zheng-Xin Liu, and Zhong-Yi Lu, Eightfold Degenerate Fermions in Two Dimensions, Phys. Rev. Lett. 127, 176401 (2021).

19. Peng-Jie Guo, Zheng-Xin Liu, and Zhong-Yi Lu, Quantum anomalous hall effect in collinear antiferromagnetism, NPJ Comput. Mater. 9, 70 (2023).

20. Ru Zheng, Rong-Qiang He, and Zhong-Yi Lu, Natural orbitals renormalization group approach to a spin-1/2 impurity interacting with two helical liquids, Phys. Rev. B 107, 115149 (2023).

21. Yi-Heng Tian, Yin Chen, Jia-Ming Wang, Rong-Qiang He, and Zhong-Yi Lu, correlation effects and concomitant two-orbital s±-wave superconductivity in La3Ni2O7 under high pressure, Phys. Rev. B 109, 165154 (2024).

22. Xiao-Qi Han, Xin-De Wang, Meng-Yuan Xu, Zhen Feng, Bo-Wen Yao, Peng-Jie Guo, Ze-Feng Gao, and Zhong-Yi Lu, AI-Driven Inverse Design of Materials: Past, Present, and Future, Chin. Phys. Lett. 42, 027403 (2025).

23. Chao-Yang Tan, Ze-Feng Gao, Huan-Cheng Yang, Zheng-Xin Liu, Kai Liu, Peng-Jie Guo, and Zhong-Yi Lu, Crystal valley Hall effect, Phys. Rev. B 111, 094411 (2025).

24. Jia-Ming Wang, Jing-Xuan Wang, Rong-Qiang He, Li Huang, and Zhong-Yi Lu, Ab initio dynamical mean field theory with natural orbitals renormalization group impurity solver, Npj Comput. Mater. 11, 86 (2025).

25. Zhenfeng Ouyang, Bo-Wen Yao, Xiao-Qi Han, Peng-Jie Guo, Ze-Feng Gao, and Zhong-Yi Lu, High-temperature superconductivity in Li2AuH6 mediated by strong electron-phonon coupling under ambient pressure, Phys. Rev. B 111, L140501 (2025).

(全部文章信息见研究组主页)