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l Zhong-Li Liu*, Peng Kang, Yu Zhu, Lei Liu, and Hong Guo, Material informatics for superconductors, Physical Review Materials (under review);
l Zhong-Li Liu*, Jie-Hui Yang, Ling-Cang Cai, Fu-Qian Jing, and Dario Alfè, Structural and thermodynamic properties of compressed palladium: Ab initio and molecular dynamics study,Phys. Rev. B, 2011,83:144113；
l Zhong-Li Liu*, Hong Jia, Rui Li, Xiu-Lu Zhang and Ling-Cang Cai, Unexpected coordination number and phase diagram of niobium diselenide under compression,Phys. Chem. Chem. Phys., 2017,19: 13219;
l Zhong-Li Liu, Ling-Cang Cai, Xiang-Rong Chen*, and Fu-Qian Jing, Molecular dynamics simulations of the melting curve of tantalum under pressure,Phys. Rev. B, 2008,77: 024103;
l Zhong-Li Liu*, Xiu-Lu Zhang,and Ling-Cang Cai, Shock Melting Method to Determine Melting Curve by Molecular Dynamics: Cu, Pd and Al, J. Chem. Phys., 2015,143:114101;
l Zhong-Li Liu*, Rui Li, Xiu-Lu Zhang, Nuo Qu, and Ling-Cang Cai, Direct anharmonic correction method by molecular dynamics,Comput. Phys. Comm., 2017,213: 122;
l Zhong-Li Liu*, Ling-Cang Cai, Xiu-Lu Zhang, and Feng Xi, Predicted alternative structure for tantalum metal under high pressure and high temperature,J. Appl. Phys., 2013,114: 073520;
l Zhong-Li Liu*, MUSE: Multi-algorithm collaborative crystal structure prediction,Comput. Phys. Commun., 2014,185: 1893;
l Zhong-Li Liu*, Ling-Cang Cai, and Xiu-Lu Zhang, Novel high pressure structures and superconductivity of niobium disulfide,J. Alloy. Compd., 2014,610: 472;
l Zhong-Li Liu*, PHASEGO: A toolkit for automatic calculation and plot of phase diagram,Comput. Phys. Commun., 2015, 191:150;
l Zhong-Li Liu*, PHASEGO 2.0: Counting full anharmonic effects from high-temperature phonon density of states,Comput. Phys. Commun., 2015, 197:341;
l Zhong-Li Liu*, Qian-Ku Hu, Hai-Yan Wang, and Xiao-Feng Li, PHASEGO 3.0: Automatic analysis of synthesis and decomposition conditions for compounds,Comput. Phys. Commun., 2016,209: 197;
l Zhong-Li Liu*, Ya-Ping Tao, Xiu-Lu Zhang, and Ling-Cang Cai, High-pressure phase diagram of gold from first-principles calculations: Converging to an isotropic atomic stacking order, 2016,Comput. Mater. Sci.,114: 72;
l Zhong-Li Liu*,Jun-Sheng Sun, Rui Li, Xiu-Lu Zhang, and Ling-Cang Cai, Comparative study on two melting simulation methods: Melting Curve of Gold,Commun. Theor. Phys., 2016,65: 613;
l Zhong-Li Liu*,Xiao-Feng Li, Xiu-Lu Zhang, Ling-Cang Cai, andFu-Qian Jing, Phase transition and thermodynamic properties of Sr under high pressure,Physica B, 2011,406: 4518;
l Zhong-Li Liu*,Xiao-Feng Li, Ling-Cang Cai, and Fu-Qian Jing, FP-LAPW calculations of structural and elastic properties of tantalum under high pressure,Phys. Status SolidiB, 2011,248: 175;
l Zhong-Li Liu*, Jie-Hui Yang, Zhi-Guo Zhao, Ling-Cang Cai, and Fu-Qian Jing, The anisotropy of shock-induced melting of Pt observed in molecular dynamics simulations,Phys. Lett. A,374: 1579;
l Zhong-Li Liu*, Ling-Cang Cai, Xiang-Rong Chen, Qiang Wu, and Fu-Qian Jing, Ab initio refinement of the thermal equation of state for bcc tantalum: the effect of bonding on anharmonicity, J. Phys.: Condens. Matt., 2009, 21: 095408;
l Xiu-Lu Zhang, Han Yun-Xia, Hong Jia, Qu Nuo, andZhong-Li Liu*, Molecular Dynamics Simulations of the Elastic Anisotropy of Pd at Extreme Conditions, Commun. Theor. Phys., 2018,69: 735;
l Wen-Jin Zhang, Zhi-Yong Liu, and Zhong-Li Liu*, Ling-Cang Cai, Melting curves and entropy of iron under Earth's core conditions,Phys. Earth Planet. Inter., 2015,244: 69;
l Wen-Jin Zhang, Yufeng Peng, and Zhong-Li Liu*, Molecular dynamics simulations of the melting curve of NiAl alloy under pressure,AIP Advances,4: 057110;
l Wen-Jin Zhang, Yu-Feng Peng, andZhong-Li Liu*, Molecular dynamics study of melting curve, entropy of fusion and solid-liquid interfacial energy of cobalt under pressure,Physica B, 2014,440: 33;
l Weiqing Yang*,Zhong-Li Liu※, Jun Chen, and Li Huang, A high-performance white light emitting diodes based on nano single crystal divanadates quantum dots,Sci. Rep., 2015,5: 10460;
l Lei Zhang,Zhongli Liu※, Long Jin, Binbin Zhang, Haitao Zhang, Minhao Zhu,andWeiqing Yang*, Self-assembly griddingα-MoO3 nanobelts for highly toxic H2S gas sensors,Sensor Actuat. B, 2016,237: 350.
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