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Chang Liu, Xianqi Song, Quan Li†, Yanming Ma†, and Changfeng Chen†, "Superconductivity in compression-shear deformed diamond", Phys. Rev. Lett. 124, 147001 (2020)
Peihao Huang, Hanyu Liu, Jian Lv, Quan Li, Chunhong Long, Yanchao Wang†, Changfeng Chen†, Russell J. Hemley†, and Yanming Ma†, "Stability of H3O at extreme conditions and implications for the magnetic fields of Uranus and Neptune", Proc. Natl. Acad. Sci. USA 117, 5638 (2020)
Sen Shao, Wenji Zhu, Jian Lv†, Yanchao Wang†, Yue Chen, and Yanming Ma, "The exotically stoichiometric compounds in Al–S system under high pressure", NPJ Comput. Mater. (2020)
Xue Li, Yu Xie, Ying Sun, Peihao Huang, Hanyu Liu†, Changfeng Chen†, and Yanming Ma†, "Chemically Tuning Stability and Superconductivity of P–H Compounds", J. Phys. Chem. Lett. 11, 935 (2020)
Da Li, Yanchao Wang, Tian Cui†, Yanming Ma† and Feng Ding†, "Local Carbon Concentration Determines the Graphene Edge Structure", J. Phys. Chem. Lett. 11, 3451 (2020)
Qiang Xu, Jian Lv, Yanchao Wang†, and Yanming Ma†, "Nonlocal kinetic energy density functionals for isolated systems obtained via local density approximation kernels", Phys. Rev. B 101, 045110 (2020)
Shiyu Deng, Xianqi Song, Xuecheng Shao, Quan Li†, Yu Xie†, Changfeng Chen†, and Yanming Ma, "First-principles study of high-pressure phase stability and superconductivity of Bi4I4", Phys. Rev. B 100, 224108 (2020)
Ying Sun, Jian Lv, Yu Xie, Hanyu Liu†, and Yanming Ma†, "Route to a Superconducting Phase above Room Temperature in Electron-Doped Hydride Compounds under High Pressure", Phys. Rev. Lett. 123, 097001 (2019) Highlight by: Physics.
Chang Liu, Xianqi Song, Quan Li†, Yanming Ma, and Changfeng Chen†, "Smooth Flow in Diamond: Atomistic Ductility and Electronic Conductivity", Phys. Rev. Lett. 123, 195504 (2019)
Jianyan Lin, Ziyuan Zhao, Chunyu Liu, Jing Zhang, Xin Du, Guochun Yang†, and Yanming Ma†, "IrF8 Molecular Crystal under High Pressure", J. Am. Chem. Soc. 141, 5409 (2019)
Changyan Zhu, Xin Qu, Min Zhang†, Jianyun Wang, Quan Li†, Yun Geng, Yanming Ma, and Zhongmin Su†, "Planar NiC3 as a reversible anode material with high storage capacity for lithium-ion and sodium-ion batteries", J. Mater, Chem. A 7, 13356 (2019)
Xiaolei Feng, Pengyue Gao, Xue Li, Min Wu, Hui Wang, Jian Lv†, Simon A. T. Redfern†, Hanyu Liu†, and Yanming Ma, "High-pressure modulated structures in beryllium chalcogenides", Phys. Rev. B 100, 014102 (2019)
Bo Gao, Randy Jalem, Yanming Ma, and Yoshitaka Tateyama†, "Li+ Transport Mechanism at the Heterogeneous Cathode/Solid Electrolyte Interface in an All-Solid-State Battery via the First-Principles Structure Prediction Scheme", Chem. Mater. 32 , 85 (2019)
Shaohua Lu, Dong Fan, Chengke Chen, Yingshuang Mei, Yanming Ma, and Xiaojun Hu†, "Ground-state structure of oxidized diamond (100) surface: An electronically nearly surface-free reconstruction", Carbon 159, 9 (2019)
Dongbao Luo, Jian Lv, Feng Peng, Yanchao Wang, Guochun Yang†, Martin Rahm†, and Yanming Ma†, "A Hypervalent and Cubically Coordinated Molecular Phase of IF8 Predicted at High Pressure", Chem. Sci. 10, 2543 (2019) Highlight by: Nature Reviews Chemistry, chemistry world.
Bo Gao, Pengyue Gao, Shaohua Lu, Jian Lv, Yanchao Wang, and Yanming Ma†, "Interface structure prediction via CALYPSO method", Sci. Bull. 64, 301 (2019)
Xianqi Song, Ketao Yin, Yanchao Wang, Andreas Hermann, Hanyu Liu, Jian Lv, Quan Li†, Changfeng Chen†, and Yanming Ma†, "Exotic Hydrogen Bonding in Compressed Ammonia Hydrides", J. Phys. Chem. Lett. 10, 2761 (2019) Highlight by: chemistry world.
Changyan Zhu, Haifeng Lv, Xin Qu, Min Zhang†, Jianyun Wang, Shizheng Wen, Quan Li, Yun Geng, Zhongmin Su, Xiaojun Wu†, Yafei Li†, and Yanming Ma, "TMC(TM = Co, Ni, and Cu) monolayers with planar pentacoordinate carbon and their potential applications", J. Mater, Chem. C 7, 6406 (2019)
Jianyun Wang, Quan Li†, Chris J. Pickard, Changfeng Chen, and Yanming Ma†, "Computational discovery and characterization of new B2O phases", Phys. Chem. Chem. Phys. 21, 2499 (2019)
Yinwei Li†, Xiaolei Feng, Hanyu Liu†, Jian Hao, Simon A.T. Redfern†, Weiwei Lei, Dan Liu, and Yanming Ma, "Route to high-energy density polymeric nitrogen t-N via He−N compounds", Nature Commun. 9, 722 (2018)