September 1999 - June 2003, Physics Department Base Class, Wuhan University, Bachelor of Science Education

September 2003 - June 2008, Institute of Physics, Chinese Academy of Sciences, Ph.D. Education

July 2005 - September 2005, Chalmers University of Technology/Gothenburg University, Sweden, visiting student

July 2007 - September 2007, Chalmers University of Technology/Gothenburg University, Sweden, visiting student

Outstanding graduates of Wuhan University in 2003

Outstanding Award of the President of the Chinese Academy of Sciences in 2006

Outstanding Graduate of Graduate School of Chinese Academy of Sciences in 2008

From August 2008 to now, lecturer, associate professor, professor, Department of Physics, Renmin University of China

August September 2011: Visiting scholar, Gothenburg University, Sweden

From scratch, we have completed four phase constructions of the High Performance Computing Physics Laboratory of the Department of Physics of the RUC: Kohn, Newton, Dirac and Bohr clusters. At present, there are 4784 CPU cores in the latest two sets of high-performance computing clusters in the Department of Physics, with a total theoretical peak of 236.6 TFlops, supporting the computational study of more than 10 research groups.

Introduction to the Physical Laboratory of High Performance Computing

Cluster User Application Form

Introduction to GPU Server "Einstein"

Introduction to "Kohn" cluster

Introduction to "Newton" cluster

Introduction to "Dirac" cluster

Introduction to "Bohr" cluster

His majors in computational condensed matter physics. He adopts first-principles electronic structure calculations and multi-body empirical potential method for the simulation of real materials, including:

(1) The microscopic mechanism of novel macroscopic electromagnetic phenomena in transition metal compounds, mainly on superconducting materials and magnetic materials;

(2) The electronic state, vibration spectrum and dynamics of solid surface adsorption systems;

(3) High-throughput calculations of superconducting materials.

Relevant achievements have been published in Nature, PRL, PRX, PRB and other journals.

He acknowledges the supports from the National Natural Science Foundation of China, the National Key R&D Program of China, the Beijing Natural Science Foundation, and the Research funds of Renmin University of China.

He serves as an anonymous reviewer of the following SCI journals: Sci. Adv., Nat. Commun.,  Phys. Rev. Lett., Phys. Rev. X, Phys. Rev. B, Phys. Rev. Mater., npj Computat. Mater., Nano Lett.,  ACS Nano., Adv. Func. Mater., Sci. Rep., Commun. Phys., J. Phys.: Condens. Matter, J. Phys. Chem. Lett., Phys. Chem. Phys., J. Mater. Chem. C, Computat. Mater. Sci., Chin. Phys. Lett., Chin. Phys. B, Acta Phys. Sin.

He has taught such courses as Introduction to Computer, Scientific Computing Language and Drawing, Program Design, General Physics, Research Course of Main Literature of Computational Physics, Academic Norms and Thesis Writing (PhD).

Graduated students

Masters:

Qian-Qian Ye (Iron-based superconductors [Phys. Rev. B 88, 205130 (2013)], Graduated in 2014, at Jiangsu University)

Xin-Wen Feng (Electride compounds, Graduated in 2019, at Beijing Key Middle School)

Duo Xu (Magnetic electronic compounds [Phys. Rev. B 106, 045138 (2022)], Graduated in 2022, at Jiangsu public service department)

Chang-Jiang Wu (Low-dimensional superconductors [Phys. Rev. B 108, 115161 (2023)], graduated in 2024 and planned to go abroad for further study)

Doctors:

Bing-Jing  Zhang (Iron-based superconductors, graduated in 2018, won Guanghua Scholarship, now university teacher in Shaanxi province）

Peng-Jie Guo (Large magnetoresistance materials and topological materials, graduated in 2020, won the National Doctoral Award, first the postdoctoral of Songshan Lake Material Laboratory, now university teacher in Renmin University of China）

Ben-Chao Gong (Frustrated lattice materials, graduated in 2021, first postdoctoral in Renmin University of China, now university teacher in Jiangsu province）

Jian-Feng Zhang (Superconductivities under high pressure, graduated in 2021, won the first prize of CNPC scholarship, now postdoctoral in the Institute of Physics, Chinese Academy of Sciences)

Xiao-Le Qiu (Electride compounds, graduated in 2022, won the Jingdong Scholarship, now university teacher in Shandong province）

Ning-Ning Zhao (Transport properties of topological materials, graduated in 2023, won the National Doctoral Award, now university teacher in Shandong province）

Pei-Han Sun (Lanthanide superconductors, graduated in 2023, won the Three Goods Student honor, now university teacher in Hebei province）

Xiao-Xiao Man (Iron based and manganese based superconductors, graduated in 2024, won the Grand Prize for Excellence in Learning, now university teacher in Shanxi province）

Doctors with joint guidance:

Huan-Cheng Yang (Magnetic materials, graduated in 2018, first postdoctoral in Beijing Computing Science Research Center, now university teacher in Renmin University of China）

Xiao-Qin Lu (Topology materials, graduated in 2020, now university teacher in Guangdong province）

Yan Gao (Boride topological materials, graduated in 2022, won the National Doctoral Award, now university teacher in Hebei province）

Graduate students:

Three doctoral students: Xin Du, Hui-Hui He, Jing Jiang

One master student: Yu-Qi Wang

Recruit students:

He plans to recruit 1-2 master or doctoral students every year. Welcome the students who are positive and with strong intrest in Physics and Computers to apply for the exam.

In recent years, he has carried out a series of theoretical and computational studies on the microscopic mechanism of the macroscopic electromagnetic phenomena of transition metal compounds (especially superconductors and magnetic materials), as well as cooperative research with experimentalists. More than 100 scientific research papers have been published, including 81 physical review series papers.

Publication list:

https://orcid.org/0000-0001-6216-333X

Selected publications:

Iron-based superconductors

· Nematic antiferromagnetic states in bulk FeSe, Kai Liu, Zhong-Yi Lu, and Tao Xiang, Phys. Rev. B 93, 205154 (2016). (Experimental background: FeSe crystal has no long-range magnetic order but antiferromagnetic correlation and nematicity at normal pressure.)

· Influence of spin-phonon coupling on antiferromagnetic spin fluctuations in FeSe under pressure: First-principles calculations with van der Waals corrections, Qian-Qian Ye, Kai Liu, and Zhong-Yi Lu, Phys. Rev. B 88, 205130 (2013). (Experimental background: the dome-like evolution of superconducting T_c of FeSe crystal with pressure.)

· First-principles study of the magnetic and electronic properties of K-coated FeSe films, Xiao-Xiao Man, Jian-Feng Zhang, Pei-Han Sun, Huan-Cheng Yang, Zhong-Yi Lu, and Kai Liu, Phys. Rev. B 109, 035105 (2024). (Experimental background: Superconducting T_c of FeSe thin films show the dome-like evolution with K doping on the surface.)

· Spin-charge-lattice couplings and Co doping effect in Ba(Fe_1-xCo_x)₂As₂: an ab initio molecular dynamics study, Hui-Hui He, Huan-Cheng Yang, Zhong-Yi Lu, and Kai Liu, Supercond. Sci. Technol. 37, 065020 (2024). (Experimental background: Superconducting T_c of BaFe₂As₂ shows the dome-like evolution with the Co doping.)

Copper oxide superconductors

· Electronic structures of quasi-one-dimensional cuprate superconductors Ba₂CuO_3+δ, Kai Liu, Zhong-Yi Lu, and Tao Xiang, Phys. Rev. Mater. 3, 044802 (2019).

· Exploring charge and spin fluctuations in infinite-layer cuprate SrCuO₂ from a phonon perspective, Xin Du, Pei-Han Sun, Ben-Chao Gong, Jian-Feng Zhang, Zhong-Yi Lu, and Kai Liu, Sci. China-Phys. Mech. Astro. 67, 287411 (2024).

· Tunable surface electron gas and effect of phonons in Sr₂CuO₃: A first-principles study, Xin Du, Hui-Hui He, Xiao-Xiao Man, Zhong-Yi Lu, and Kai Liu, Phys. Rev. B 110, 195121 (2024).

Topological States and Superconductivity in Transition Metal Diborides

· Experimental observation of Dirac nodal links in centrosymmetric semimetal TiB₂, Zhonghao Liu, Rui Lou, Pengjie Guo, Qi Wang, Shanshan Sun, Chenghe Li, Setti Thirupathaiah, Alexander Fedorov, Dawei Shen, Kai Liu, Hechang Lei, and Shancai Wang, Phys. Rev. X 8, 031044 (2018).

· Pressure-induced superconductivity at 32 K in MoB₂, Cuiying Pei, Jianfeng Zhang, Qi Wang, Yi Zhao, Lingling Gao, Chunsheng Gong, Shangjie Tian, Ruitao Luo, Mingtao Li, Wenge Yang, Zhong-Yi Lu, Hechang Lei, Kai Liu, and Yanpeng Qi, Natl. Sci. Rev. 10, nwad034 (2023).

CDW states, topological property and superconductivity of Kagome lattice superconductors

· Charge-density-wave-induced bands renormalization and energy gaps in a kagome superconductor RbV₃Sb₅, Zhonghao Liu, Ningning Zhao, Qiangwei Yin, Chunsheng Gong, Zhijun Tu, Man Li, Wenhua Song, Zhengtai Liu, Dawei Shen, Yaobo Huang, Kai Liu, Hechang Lei, and Shancai Wang, Phys. Rev. X 11, 041010 (2021).

· Quantum transport evidence of topological band structures of kagome superconductor CsV₃Sb₅, Yang Fu, Ningning Zhao, Zheng Chen, Qiangwei Yin, Zhijun Tu, Chunsheng Gong, Chuanying Xi, Xiangde Zhu, Yuping Sun, Kai Liu, and Hechang Lei, Phys. Rev. Lett. 127, 207002 (2021).

· First-principles study of the double-dome superconductivity in the kagome material CsV₃Sb₅ under pressure, Jian-Feng Zhang, Kai Liu, and Zhong-Yi Lu, Phys. Rev. B 104, 195130 (2021).

Large magnetoresistive and superconducting states of binary lanthanide compounds

· Charge compensation in extremely large magnetoresistance materials LaSb and LaBi revealed by first-principles calculations, Peng-Jie Guo, Huan-Cheng Yang, Bing-Jing Zhang, Kai Liu, and Zhong-Yi Lu, Phys. Rev. B 93, 235142 (2016).

· First-principles study of electron-phonon coupling and magnetoresistance of LaBi under pressure, Jian-Feng Zhang, Peng-Jie Guo, Kai Liu, and Zhong-Yi Lu, Phys. Rev. B 101, 155139 (2020).