Publications 

Full List of Papers

† Corresponding Author

2019:

  1. 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)

  2. 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.

  3. Bo Gao, Pengyue Gao, Shaohua Lu, Jian Lv, Yanchao Wang and Yanming Ma†, "Interface structure prediction via CALYPSO method", Sci. Bull. 64, 301 (2019)

  4. 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.

  5. 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)

2018:

  1. 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)

  2. Gil Chan Hwang, Douglas A. Blom, Thomas Vogt, Jaejun Lee, Heon-Jin Choi, Sen Shao, Yanming Ma, and Yongjae Lee†, "Pressure-driven phase transitions and reduction of dimensionality in 2D silicon nanosheets", Nature Commun. 9, 5412 (2018)

  3. Jurong Zhang, Jian Lv, Hefei Li, Xiaolei Feng, Cheng Lu, Simon A. T. Redfern, Hanyu Liu†, Changfeng Chen†, and Yanming Ma†, "Rare Helium-Bearing Compound FeO2 He Stabilized at Deep-Earth Conditions", Phys. Rev. Lett. 121, 255703 (2018)

  4. Zhenhua Chi, Xuliang Chen, Fei Yen, Feng Peng, Yonghui Zhou, Jinlong Zhu, Yijin Zhang, Xiaodi Liu, Chuanlong Lin, Shengqi Chu, Yanchun Li†, Jinggeng Zhao†, Tomoko Kagayama, Yanming Ma, and Zhaorong Yang†, "Superconductivity in Pristine 2Ha-MoS2 at Ultrahigh Pressure", Phys. Rev. Lett. 120, 037002 (2018)

  5. Jian Lv, Meiling Xu, Shiru Lin, Xuecheng Shao, Xinyu Zhang, Yanhui Liu, Yanchao Wang†, Zhongfang Chen†, Yanming Ma, "Direct-Gap Semiconducting Tri-layer Silicene With 29% Photovoltaic Efficiency", Nano Energy 51, 489 (2018)

  6. Xiaolei Feng, Siyu Lu, Chris J.Pickard, Hanyu Liu†, Simon A.T.Redfern†, Yanming Ma†, "Carbon network evolution from dimers to sheets in superconducting ytrrium dicarbide under pressure", Commun. Chem. 1, 85 (2018)

  7. Jianyan Lin, Shoutao Zhang, Wei Guan, Guochun Yang†, and Yanming Ma†, "Gold with +4 and +6 Oxidation States in AuF4 and AuF6", J. Am. Chem. Soc. 140, 9545 (2018)

  8. Meiling Xu, Yue Chen†, Fen Xiong, Jianyun Wang, Yanhui Liu,Jian Lv, Yinwei Li, Yanchao Wang†, Zhongfang Chen, and Yanming Ma†, " A Hidden Symmetry-Broken Phase of MoS2 Revealed as A Superior Photovoltaic Material", J. Mater Chem. A 6, 16087 (2018)

  9. Hui Wang†, Xue Li, Guoying Gao†, Yinwei Li†, and Yanming Ma, "Hydrogen‐rich superconductors at high pressures", Wires Comput. Mol. Sci. 8 (2018)

  10. Guangtao Liu, Zhenhai Yu, Hanyu Liu, Simon A. T. Redfern, Xiaolei Feng, Xin Li, Ye Yuan, Ke Yang, Naohisa Hirao, Saori Imada Kawaguchi, Xiaodong Li, Lin Wang†, and Yanming Ma†, "Unexpected Semimetallic BiS2 at High Pressure and High Temperature", J. Phys. Chem. Lett. 9, 5785 (2018)

  11. Xin Zhong, Lihua Yang, Xin Qu, Yanchao Wang†, Jinghai Yang†, and Yanming Ma†, "Crystal Structures and Electronic Properties of Oxygen-rich Titanium Oxides at High Pressure", Inorg. Chem. 57, 3254 (2018)

  12. Qiang Bian, Zhihua Yang†, Yanchao Wang, Miriding Mutailipu, Yanming Ma†, and Shilie Pan†, "Computer-Assisted Design of a Superior Be2BO3F Deep-Ultraviolet Nonlinear-Optical Material", Inorg. Chem. 57, 5716 (2018)

  13. Jianyun Wang, Xianqi Song, Xuecheng Shao, Bo Gao†, Quan Li†, and Yanming Ma, "High-Pressure Evolution of Unexpected Chemical Bonding and Promising Superconducting Properties of YB6", J. Phys. Chem. C 122, 27820 (2018)

  14. Shoutao Zhang, Jianyan Lin, Yanchao Wang, Guochun Yang†, Aitor Bergara†, and Yanming Ma†, "Nonmetallic FeH6 under High Pressure", J. Phys. Chem. C 122, 12022 (2018)

  15. Dongbao Luo, Yanchao Wang, Guochun Yang†, and Yanming Ma†, "Barium in High Oxidation States in Pressure-stabilized Barium Fluorides", J. Phys. Chem. C 122, 12448 (2018)

  16. Qunchao Tong, Lantian Xue, Jian Lv†, Yanchao Wang, and Yanming Ma†, "Accelerating CALYPSO Structure Prediction by Data-driven Learning of Potential Energy Surface", Faraday Discuss. 211 , 31 (2018)

2017:

  1. Lijun Zhang, Yanchao Wang, Jian Lv, and Yanming Ma†, "Materials discovery at high pressures", Nature Rev. Mater. 2, 17005 (2017)

  2. Feng Peng, Ying Sun, Chris J. Pickard, Richard J. Needs, Qiang Wu, and Yanming Ma†, "Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity", Phys. Rev. Lett. 119, 107001 (2017)

  3. Cheng Lu, Quan Li, Yanming Ma, and Changfeng Chen, "Extraordinary Indentation Strain Stiffening Produces Superhard Tungsten Nitrides", Phys. Rev. Lett. 119, 115503 (2017)

  4. Teng Ma, Hui Li, Xu Zheng, Shanmin Wang, Xiancheng Wang, Huaizhou Zhao, Songbai Han, Jian Liu, Ruifeng Zhang†, Pinwen Zhu†, Youwen Long, Jinguang Cheng, Yanming Ma, Yusheng Zhao, Changqing Jin, Xiaohui Yu†, "Ultrastrong Boron Frameworks in ZrB12: A Highway for Electron Conducting", Adv. Mater. 29, 1604003 (2017)

  5. Victor Naden Robinson, Yanchao Wang, Yanming Ma, and Andreas Hermann†, "Stabilization of ammonia-rich hydrate inside icy planets", Proc. Natl. Acad. Sci.114, 9003 (2017)

  6. Yunwei Zhang, Weikang Wu, Yanchao Wang, Shengyuan A. Yang†, and Yanming Ma†, "Pressure-Stabilized Semiconducting Electrides in Alkaline-Earth Metal Subnitrides", J. Am. Chem. Soc. 139, 13798 (2017)

  7. Yunwei Zhang, Hui Wang, Yanchao Wang, Lijun Zhang, and Yanming Ma†, "Computer-Assisted Inverse Design of Inorganic Electrides", Phy. Rev. X 7, 11017 (2017)

  8. Xin Qu, Jinghai Yang†, Yanchao Wang, Jian Lv†, Zhongfang Chen, and Yanming Ma, "A two-dimensional TiB4 monolayer exhibits planar octacoordinate Ti", Nanoscale 9, 17983 (2017)

  9. Menglong Wang, Chang Liu, Mao Wen, Quan Li†, and Yanming Ma, "Investigations on structural determination of semi-transition-metal borides", Phys. Chem. Chem. Phys. 19, 31592 (2017) It has been highlighted by PCCP Editors as a HOT manuscript in 2017.

  10. Pengyue Gao, Qunchao Tong, Jian Lv, Yanchao Wang†, and Yanming Ma†, "X-ray diffraction data-assisted structure searches", Comput. Phys. Commun. 213, 40 (2017)

  11. Guangtao Liu, Stanislav Besedin, Alla Irodova, Hanyu Liu, Guoying Gao, Mikhail Eremets, Xin Wang, and Yanming Ma†, "Nb-H system at high pressures and temperatures", Phys. Rev. B 95, 104110 (2017)

  12. Chuanxun Su, Jian Lv, Quan Li, Hui Wang, Lijun Zhang, Yanchao Wang †, and Yanming Ma†, "Construction of crystal structure prototype database: methods and applications", J. Phys. Condens. Matter 2, 108688 (2017) It has been included in the annual journal highlights, which are all free to read for the remainder of 2018.

  13. Pengyue Gao, Sheng Wang, Jian Lv, Yanchao Wang†, and Yanming Ma†, "A database assisted protein structure prediction method via a swarm intelligence algorithm", RSC Adv. 7, 39869 (2017)

2016:

  1. Ion Errea, Matteo Calandra, Chris J. Pickard, Joseph R. Nelson, Richard J.Needs, Yinwei Li, Hanyu Liu, Yunwei Zhang, Yanming Ma, Francesco Mauri†, "Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system", Nature 532, 81 (2016)

  2. Xin Zhong, Hui Wang, Jurong Zhang, Hanyu Liu, Shoutao Zhang, Haifeng Song, Guochun Yang, Lijun Zhang†, and Yanming Ma†, "Tellurium Hydrides at High Pressures: High-Temperature Superconductors", Phys. Rev. Lett. 116, 057002 (2016)

  3. Guochun Yang, Yanchao Wang, Feng Peng, Aitor Bergara, and Yanming Ma†, "Gold as a 6p-Element in Dense Lithium Aurides", J. Am. Chem. Soc. 138, 4046 (2016)

  4. Shoutao Zhang, Yanchao Wang, Guochun Yang, and Yanming Ma†, "Silicon Framework-based Lithium Silicides at High Pressures", ACS Appl. Mater. Inter. 8, 16761 (2016)

  5. Yuhao Fu, Xiangpo Du, Lijun Zhang†, Feng Peng, Miao Zhang, Chris J. Pickard, Richard J. Needs, David J. Singh, Weitao Zheng, and Yanming Ma†, "High-Pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides", Chem. Mater. 28 , 1746 (2016)

  6. Qiaoling Xu, Yuwei Li, Lijun Zhang†, Weitao Zheng, David J. Singh†, and Yanming Ma†, "Sn(II)-Containing Phosphates as Optoelectronic Materials", Chem. Mater. 29 , 2459 (2018)
  7. Feng Peng, Jorge Botana, Yanchao Wang, Yanming Ma†, and Maosheng Miao†, "Unexpected Trend in Stability of Xe–F Compounds under Pressure Driven by Xe–Xe Covalent Bonds", J. Phys. Chem. Lett 7 , 4562 (2016)

  8. Li Yinwei, Wang Lin, Liu Hanyu, Zhang Yunwei, Hao Jian, Pickard Chris J, Nelson Joseph R, Needs Richard J, Li Wentao, Huang Yanwei, Errea Ion, Calandra Matteo, Mauri Francesco, and Yanming Ma†, "Dissociation products and structures of solid H2S at strong compression", Phys. Rev. B 93, 020103 (2016)

  9. Xin Zhong, Andreas Hermann, Yanchao Wang†, and Yanming Ma†, "Monoclinic high-pressure polymorph of AlOOH predicted from first principles", Phys. Rev. B 94, 224110 (2016)

  10. Yuwei Li, David J. Singh, Maohua Du, Qiaoling Xu, Lijun Zhang†, Weitao Zheng and Yanming Ma†, "Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity", J. Mater. Chem. C 4, 4592 (2016)

  11. Wang Hui, Wang Yanchao, Lv Jian, Li Quan, Zhang Lijun, Yanming Ma†, "CALYPSO structure prediction method and its wide applications", Comp. Mater. Sci. 112, 406 (2016)

  12. Haixin Bi, Shoutao Zhang, Shubo Wei, JianYun Wang, Dan Zhou, Quan Li† and Yanming Ma, "Globally stable structures of LixZn (x = 1–4) compounds at high pressures", Phys. Chem. Chem. Phys. 18, 4437 (2016)

  13. Chuanxun Su, Jurong Zhang, Guangtao Liu, Xin Wang, and Yanming Ma†, "The Catenation of Carbon in LaC2 Predicted under High Pressure", Phys. Chem. Chem. Phys. 18, 14286 (2016)

  14. Yuanyuan Zhou, Hui Wang†, Chunye Zhu, Hanyu Liu, John S. Tse, and Yanming Ma†, "Prediction of Host–Guest Na–Fe Intermetallics at High Pressures", Inorg. Chem. 55, 7026 (2016)

  15. Wenhui Mi, Xuecheng Shao, Chuanxun Su, Yuanyuan Zhou, Shoutao Zhang, Quan Li, Hui Wang, Lijun Zhang, Maosheng Miao, Yanchao Wang†, Yanming Ma†, "ATLAS: A real-space finite-difference implementation of orbital-free density functional theory", Comput. Phys. Commun. 200, 87 (2016)

  16. Wenhui Mi, Shoutao Zhang, Yanchao Wang†, Yanming Ma†, and Maosheng Miao "First-principle optimal local pseudopotentials construction via optimized effective potential method", J. Chem. Phys. 144, 134108 (2016)

2015:

  1. Quan Li†, Dan Zhou, Weitao Zheng, Yanming Ma†, and Changfeng Chen†, "Anomalous Stress Response of Ultrahard WBn Compounds", Phys. Rev. Lett. 115, 185502 (2015)

  2. Yinwei Li, Yanchao Wang, Chris J. Pickard, Richard J. Needs, Yi Wang, and Yanming Ma†, "Metallic Icosahedron Phase of Sodium at Terapascal Pressures", Phys. Rev. Lett. 114, 125501 (2015)

  3. Miao Zhang, Hanyu Liu, Quan Li†, Bo Gao, Yanchao Wang, Hongdong Li, Changfeng Chen†, and Yanming Ma†, "Superhard BC3 in Cubic Diamond Structure", Phys. Rev. Lett. 114, 015502 (2015)

  4. Ion Errea, Matteo Calandra†, Chris J. Pickard, Joseph Nelson, Richard J. Needs, Yinwei Li, Hanyu Liu, Yunwei Zhang, Yanming Ma, and Francesco Mauri,"High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor", Phys. Rev. Lett. 114, 157004 (2015)

  5. Xiao Guanjun, Yang Xinyi, Zhang Xinxin, Wang Kai, Huang Xiaoli, Ding Zhanhui, Yanming Ma, Zou Guangtian, Zou Bo†,"A Protocal to Fabricate Nanostructured New Phase:B31-Type MnS Synthesized under High Pressure", J. Am. Chem. Soc. 137, 10297 (2015)

  6. Botana Jorge, Wang Xiaoli, Hou Chunju, Yan Dadong, Lin Haiqing Yanming Ma, Miao Maosheng†,"Mercury under Pressure acts as a Transition Metal: Calculated from First Principles", Angew. Chem. Int. Edit. 54, 9280 (2015)

  7. Peng Feng, Wang Yanchao, Wang Hui, Zhang Yunwei and Yanming Ma†, "Stable xenon nitride at high pressures", Phys. Rev. B 92, 094104 (2015)

  8. Desgreniers S, Tse JS, Matsuoka T, Ohishi Yasuo, Li Quan, Yanming Ma, "High pressure-low temperature phase diagram of barium: Simplicity versus complexity", Appl. Phys. Lett. 107, 22 (2015)

  9. Feng Peng, Yansun Yao†, Hanyu Liu†, and Yanming Ma†, "Crystalline LiN5 Predicted from First-Principles as a Possible High-Energy Material", J. Phys. Chem. Lett. 6, 2363 (2015)

  10. Miao Zhang, Guoying Gao, Alex Kutana, Yanchao Wang, Xiaolong Zou, John S Tse, Boris I Yakobson†, Hongdong Li†, Hanyu Liu† and Yanming Ma, "Two-Dimensional Boron-Nitrogen-Carbon Monolayers with Tunable Direct Band Gaps", Nanoscale 7, 12023 (2015)

  11. Lv Jian, Wang Yanchao, Zhang Lijun†, Lin Haiqing, Zhao Jijun†, Yanming Ma†, "Stabilization of fullerene-like boron cages by transition metal encapsulation", Nanoscale 7, 10482 (2015)

  12. Sun Yong, Lu Cheng, Cui Hao, Wang Jing, Yanming Ma†, Wang Chengxin†, "Room-temperature ferromagnetism of 2H-SiC-alpha-Ai2O3 soild solution nanowires and the physical origin", Nanoscale 7, 4912 (2015)

  13. Liang Xu, Wei-Qing Huang†, Ling-Ling Wang, Ze-An Tian, Wangyu Hu, Yanming Ma, Xin Wang, Anlian Pan, and Gui-Fang Huang†, "Insights into Enhanced Visible-Light Photocatalytic Hydrogen Evolution of g-C3N4 and Highly Reduced Graphene Oxide Composite: The Role of Oxygen", Chem. Mater. 27, 1612 (2015)

  14. Guanjun Xiao, Kai Wang, Li Zhu, Xiao Tan, Yuancun Qiao, Ke Yang, Yanming Ma, Bingbing Liu, Weitao Zheng, and Bo Zou†, "Pressure-Induced Reversible Phase Transformation in Nanostructured Bi2Te3 with Reduced Transition Pressure", J. Phys. Chem. C 119, 3843 (2015)

  15. Zhang Shoutao, Bi Haixin, Wei shubo, Wang Jianyun, Li Quan†, Yanming Ma, "Crystal Structures and Electronic Properties of Cesium Xenides at High Pressures", J. Phys. Chem. C 119, 24996 (2015)

  16. Gao Bo, Shao Xuecheng, Lv jian, Wang Yanchao† Yanming Ma† "Structure Prediction of Atoms Adsorbed on Two-Dimensional Layer Materials: Method and Applications", J. Phys. Chem. C 119, 20111 (2015)

  17. Yanchao Wang, Jian Lv, Li Zhu, Shaohua Lu, Ketao Yin, Quan Li, Hui Wang, Lijun Zhang and Yanming Ma†,"Materials discovery via CALYPSO methodology", J. Phys.: Condens. Matter 27, 203203 (2015)

  18. Ziwei Wang, Hui Wang†, John S. Tse†, Toshiaki Iitakad and Yanming Ma,"Stabilization of H3+ in the high pressure crystalline structure of HnCl (n = 2–7)", Chem. Sci. 6, 522 (2015)

  19. Weiwei Sun†, Yunguo Li†, Li Zhu, Yanming Ma, Igor Di Marco, Börje Johansson and Pavel Korzhavyi,"Gluing together metallic and covalent layers to form Ru2C under ambient conditions", Phys. Chem. Chem. Phys. 17, 9730 (2015)

  20. Wang Yanchao, Wang Hui†, John S. Tse†, Iitaka Toshiaki, Yanming Ma, "Structural morphologies of high-pressure polymorphs of strontium hydrides", Phys. Chem. Chem. Phys. 17, 19379 (2015)

  21. Wu Haiping, Qian Yan, Lu Shaohua, Kan Erjun, Lu Ruifeng, Deng Kaiming, Wang Hui, Yanming Ma†, "Two-Dimensional silicon monolayers generated on c-BN(111) substrate", Phys. Chem. Chem. Phys. 17, 15694 (2015)

  22. Yuwei Li, Lijun Zhang, Yanming Ma and David J. Singh†, "Tuning optical properties of transparent conducting barium stannate by dimensional reduction", APL Mater. 3, 011102 (2015)

  23. Guochun Yang†, Shaoqing Shi, Jinghai Yang† and Yanming Ma†, "Insight into the role of Li2S2 in Li-S batteries: a first-principles study", J. Mater. Chem. A 3, 8865 (2015)

  24. Wang Hongbo, Eremets Mikhail I, Troyan Lvan, Liu Hanyu Yanming Ma†, Vereecken Luc, "Nitrogen Backbone Oligomers", Sci. Rep 5, 13239 (2015)

  25. Cui Wenwen, Shi Jingming, Liu hanyu, Yao Yansun, Wang Hui† Litaka Toshiaki Yanming Ma, "Hydrogen segregation and its roles in structural stability and metallization: silane under pressure", Sci. Rep 5, 13039 (2015)

  26. Zhang Shoutao, Wang Yanchao, Zhang Jurong, Liu Hanyu, Zhong Xin, Song Haifeng, Yang Guochun†, Zhang Lijun†, Yanming Ma, "Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides", Sci. Rep 5, 15433 (2015)

  27. Li Xiaofeng, Hermann Andreas, Peng Feng, Lv jian, Wang Yanchao, Wang Hui, Yanming Ma†, "Stable Lithium Argon compounds under high pressure", Sci. Rep 5, 16675 (2015)

  28. Xing Guangzong, Fan Xiaofeng, Zheng Weitao, Yanming Ma, Shi Hongliang, Singh David J, "Magnetism in Na-filled Fe-based skutterudites", Sci. Rep 5, 10782 (2015)

2014:

  1. Quan Huang, Dongli Yu, Bo Xu, Wentao Hu, Yanming Ma, Yanbin Wang, Zhisheng Zhao, Bin Wen, Julong He, Zhongyuan Liu and Yongjun Tian†, "Nanotwinned diamond with unprecedented hardness and stability", Nature 510, 250 (2014)

  2. Li Zhu, Hanyu Liu, Chris J. Pickard, Guangtian Zou and Yanming Ma†, "Reactions of xenon with iron and nickel are predicted in the Earth's inner core", Nature Chem. 6, 644 (2014)

  3. Shaohua Lu, Yanchao Wang, Hanyu Liu, Mao-sheng Miao† and Yanming Ma†, "Self-assembled ultrathin nanotubes on diamond (100) surface", Nature Commun. 5, 3666 (2014)

  4. Guanjun Xiao, Chunye Zhu, Yanming Ma†, Bingbing Liu, Guangtian Zou, Bo Zou†, "Unexpected Room-Temperature Ferromagnetism in Nanostructured Bi2Te3", Angew. Chem. Int. Edit. 126, 748 (2014).

  5. Wei Luo, Yanming Ma, Xingao Gong, and Hongjun Xiang†, "Prediction of Silicon-Based Layered Structures for Optoelectronic Applications", J. Am. Chem. Soc. 136, 15992 (2014).

  6. Xin Zhong, Yanchao Wang, Feng Peng, Hanyu Liu, Hui Wang†, and Yanming Ma†, "Pressure stabilization of the long-missing bare C6 hexagonal rings in the Binary Sesquicarbides",Chem. Sci. 5, 3936 (2014).

  7. Qiang Tao, Dafang Zheng, Xueping Zhao,Yanli Chen, Quan Li, Qian Li, Changchun Wang, Tian Cui, Yanming Ma, Xin Wang†, and Pinwen Zhu†, "Exploring Hardness and the Distorted sp2 Hybridization of B-B Bonds in WB3", Chem. Mater. 26, 5297 (2014).

  8. Guochun Yang,Yanchao Wang†, and Yanming Ma†, "A Stable, Magnetic, and Metallic Li3O4 Compound as a Discharge Product in a Li–Air Battery", J. Phys. Chem. Lett. 5, 2516 (2014)

  9. Weiwei Lei†,Hui Zhang,Ying Wu, Bao Zhang, Dan Liu, Si Qin, Zongwen Liu, Limin Liu, Yanming Ma and Ying Chen†, "Oxygen-doped boron nitride nanosheets with excellent performance in hydrogen storage" Nano Energy, 6, 219(2014).

  10. Jian Lv, Yanchao Wang, Li Zhu and Yanming Ma†, "B38: An All-boron Fullerene Analogue", Nanoscale 6 , 11692 (2014).

  11. Zhisheng Zhao, Meng, Li, Zhu, Qianqian Wang, Yanming Ma, Guoyin Shen, Ligang Bai, Hongliang He, Duanwei He, Dongli Yu, Julong He, Bo Xu† and Yongjun Tian,"Carbon coated face-centered cubic Ru–C nanoalloysa", Nanoscale 6 , 10370 (2014)

  12. Li-chun Xu, Ruzhi Wang†, Mao-Sheng Miao†, Xiao-Lin Wei, Yuan-Ping Chen, Hui Yan, Woon-Ming Lau,Limin Liu† and Yanming Ma†, "Two Dimensional Dirac Carbon Allotropes from Graphene", Nanoscale 6, 1113 (2014).

  13. Shubo Wei, Chunye Zhu, Qian Li, Yuanyuan Zhou, Quan Li† and Yanming Ma†, "High-Pressure Phase Transition of Cesium Chloride and Cesium Bromide",Phys. Chem. Chem. Phys. 16, 17924 (2014).

  14. Yanchao Wang and Yanming Ma†, "Perspective: Crystal structure prediction at high pressures", J. Chem. Phys. 140, 040901 (2014).

  15. Yanmei Ma, Yuanzheng Chen, Yanming Ma, Shishi Jiang, Josh Goldberger, Thomas Vogt, Yongjae Lee†, "Inter- and Intralayer Compression of Germanane", J. Phys. Chem. C 118, 28196 (2014).

  16. Hanyu Liu, John Tse, and Yanming Ma†,"Robust Diffusive Proton Motions in Phase IV of Solid Hydrogen", J. Phys. Chem. C 118, 11902 (2014).

  17. Dan Liu, Xin Chen, Yanming Ma, ZhenXian Liu, Thomas Vogt and Yongjae Lee†, "Spectroscopic and Computational Characterizations of Alkaline-Earth- and Heavy-Metal-Exchanged Natrolites", ChemPlusChem 79, 1096 (2014).
  18. Yinwei Li†, Jian Hao, Hanyu Liu, Yanling Li, and Yanming Ma†, "The metallization and superconductivity of dense hydrogen sulfide", J. Chem. Phys. 140, 174712 (2014).

  19. Ziwei Wang, Yansun Yao, Li Zhu, Hanyu Liu, Toshiaki Iitaka, Hui Wang and Yanming Ma†, "Metallization and superconductivity of BeH2 under high pressure", J. Chem. Phys. 140, 124707 (2014).

  20. Qian Li, Xinxin Zhang, Hanyu Liu, Hui Wang, Miao Zhang, Quan Li, and Yanming Ma†, "Structural and Mechanical Properties of Platinum Carbide", Inorg. Chem. 53, 5797 (2014).

2013:

  1. Yongjun Tian, Bo Xu, Dongli Yu, Yanming Ma, Yanbin Wang, Yingbing Jiang, Wentao Hu, Chengchun Tang, Yufei Gao, Kun Luo, Zhisheng Zhao, Li-Min Wang, Bin Wen, Julong He, and Zhongyuan Liu, "Ultrahard nanotwinned cubic boron nitride", Nature 493, 385 (2013).

  2. Quan Li, Dan Zhou, Weitao Zheng, Yanming Ma†, and Changfeng Chen†, "Global structural optimization of tungsten borides", Phys. Rev. Lett. 110, 136403 (2013).

  3. Hanyu Liu and Yanming Ma†, "Proton or Deuteron Transfer in Phase IV of Solid Hydrogen and Deuterium", Phys. Rev. Lett. 110, 025903 (2013).

  4. Cheng Lu, Maosheng Miao†, and Yanming Ma†, "Structural Evolution of Carbon Dioxide under High Pressure", J. Am. Chem. Soc. 135, 14167 (2013).

  5. Yong Sun, Yuanzheng Chen, Cairong Ding, Guowei Yang, Yanming Ma and Chengxin Wang, "One-Dimensional Al4O4C Ceramics: A New Type of Blue Light Emitter", Sci. Rep-UK 3, 1749 (2013).

  6. Guoying Gao, Roald Hoffmann†, N. W. Ashcroft†, Hanyu Liu, Aitor Bergara, and Yanming Ma†, "Theoretical study of the ground-state structures and properties of niobium hydrides under pressure", Phys. Rev. B 88, 184104 (2013).

  7. Yuanzheng Chen, Xiaoxiang Xi, Wai-Leung Yim, Feng Peng, Yanchao Wang†, Hui Wang, Yanming Ma†, Guangtao Liu, Chenglin Sun, Chunli Ma, Zhiqiang Chen, and H. Berger, "High-Pressure Phase Transitions and Structures of Topological Insulator BiTeI", J. Phys. Chem. C 117, 25677 (2013).

  8. Hanyu Liu, Eduardo R. Hernandez, Jun Yan, and Yanming Ma†, "Anomalous Melting Behavior of Solid Hydrogen at High Pressures", J. Phys. Chem. C 117, 11873 (2013).

  9. Xinxin Zhang, Yanchao Wang, Jian Lv, Chunye Zhu, Qian Li, Miao Zhang, Quan Li† and Yanming Ma†, "First-principles structural design of superhard materials", J. Chem. Phys. 138, 114101 (2013).

  10. Yuanzheng Chen, Feng Peng, Yan Yan, Ziwei Wang, Chenglin Sun, and Yanming Ma†, "Exploring High-Pressure Lithium Beryllium Hydrides: A New Chemical Perspective", J. Phys. Chem. C 117, 13879 (2013).

  11. Dan Zhou, Quan Li, Yanming Ma, Qiliang Cui, and Changfeng Chen, "Pressure-Induced Superconductivity in SnTe: A First-Principles Study", J. Phys. Chem. C 117, 12266 (2013).

  12. Guangtao Liu, Li Zhu, Yanmei Ma, Chuanlong Lin, Jing Liu, and Yanming Ma†, "Stabilization of 9/10-Fold Structure in Bismuth Selenide at High Pressures", J. Phys. Chem. C 117, 10045 (2013).

  13. Thomas Scheler, Feng Peng, Christophe L. Guillaume, Ross T. Howie, Yanming Ma, and Eugene Gregoryanz, "Nanocrystalline tungsten hydrides at high pressures", Phys. Rev. B 87, 184117 (2013).

  14. Dan Zhou, Quan Li, Yanming Ma, Qiliang Cui, and Changfeng Chen, "Unraveling Convoluted Structural Transitions in SnTe at High Pressure", J. Phys. Chem. C 117, 5352 (2013).

  15. Dan Zhou, Quan Li, Yanming Ma, Qiliang Cui, and Changfeng Chen, "Pressure-Driven Enhancement of Topological Insulating State in Tin Telluride", J. Phys. Chem. C 117, 8437 (2013).

  16. Guoying Gao, Aitor Bergara, Guangtao Liu, and Yanming Ma†, "Pressure induced phase transitions in TiH2", J. Appl. Phys. 113, 103512 (2013).

2012:

  1. Feng Peng, Maosheng Miao, Hui Wang, Quan Li, and Yanming Ma†, "Predicted lithium-boron compounds under high pressure", J. Am. Chem. Soc. 134, 18599 (2012).

  2. Xiaoli Wang, Yanchao Wang, Maosheng Miao, Xin Zhong, Jian Lv, Tian Cui, Jianfu Li†, Li Chen, Chris J. Pickard, and Yanming Ma†, "Cagelike Diamondoid Nitrogen at High Pressures", Phys. Rev. Lett. 109, 175502 (2012).

  3. Zhisheng Zhao, Fei Tian, Xiao Dong, Quan Li, Qianqian Wang, Hui Wang, Xin Zhong, Bo Xu, Dongli Yu, Julong He, Hui-Tian Wang, Yanming Ma†, and Yongjun Tian†, "Tetragonal Allotrope of Group 14 Elements", J. Am. Chem. Soc. 134, 12362 (2012).
    Highlight by: chemistry world.

  4. Hui Wang, John S. Tse, Kaori Tanaka, Toshiaki Iitaka, and Yanming Ma†, "Superconductive "sodalite"-like clathrate calcium hydride at high pressures", Proc. Natl. Acad. Sci. USA 109, 6463 (2012).
    Highlight by: ars technica.

  5. Li Zhu, Ziwei Wang, Yanchao Wang, Guangtian Zou, Ho-kwang Mao†, and Yanming Ma†, "Spiral chain O4 form of dense oxygen", Proc. Natl. Acad. Sci. USA 109, 751 (2012).
    Highlight by: Chemical & Engineering News, 90(2), January 09, 2012.

  6. Ningru Xiao, Li Zhu, Kai Wang, Quanqin Dai, Yingnan Wang, Shourui Li, Yongming Sui, Yanming Ma†, Jing Liu, Bingbing Liu, Guangtian Zou and Bo Zou†, "Synthesis and high-pressure transformation of metastable wurtzite-structured CuGaS2 nanocrystals", Nanoscale 4, 7443 (2012).

  7. Yanchao Wang, Maosheng Miao, Jian Lv, Li Zhu, Ketao Yin, Hanyu Liu, and Yanming Ma†, "An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm", J. Chem. Phys. 137, 224108 (2012)

  8. Xinyi Yang, Yingnan Wang, Kai Wang, Yongming Sui, Meiguang Zhang, Bing Li, Yanming Ma, Bingbing liu, Guangtian Zou, and Bo Zou, "Polymorphism and Formation Mechanism of Nanobipods in Manganese Sulfide Nanocrystals Induced by Temperature or Pressure", J. Phys. Chem. C 116, 3292 (2012).

  9. Xinxin Zhang , Yanchao Wang and Yanming Ma†, "High pressure structures of '111' type iron-based superconductors predicted from first-principles", Phys. Chem. Chem. Phys. 14, 15029 (2012).

  10. Hanyu Liu, Wenwen Cui, and Yanming Ma†, "Hybrid Functional Study Rationalizes the Simple Cubic Phase of Calcium at High Pressures", J. Chem. Phys. 137, 184502 (2012).

  11. Xin Chen and Yanming Ma†, "High-Pressure Structures and Metallization of Sodium Chloride", Europhys. Lett. 100, 26005 (2012).

  12. Yanmei Ma, Guangtao Liu, Pinwen Zhu, Hui Wang, Xin Wang, Qiliang Cui, Yanming Ma†, Chuanlong Lin, Jing Liu, "Determinations of the High-Pressure Crystal Structures of Sb2Te3", J. Physics: Condensed Matter 24, 475403 (2012).

  13. Jian Lv, Yanchao Wang, Li Zhu, and Yanming Ma†, "Particle-swarm structure prediction on clusters " J. Chem. Phys. 137, 084104 (2012).

  14. Hanyu Liu, Li Zhu, Wenwen Cui, and Yanming Ma†, "Room-temperature structures of solid hydrogen at high pressures", J. Chem. Phys. 137, 074501 (2012).

  15. Quan Li , Hanyu Liu , Dan Zhou , Weitao Zheng , Zhijian Wu and Yanming Ma†, "A novel low compressible and superhard carbon nitride: Body-centered tetragonal CN2", Phys. Chem. Chem. Phys. 14, 13081 (2012).

  16. Peifang Li, Guoying Gao, and Yanming Ma†, "Modulated structure and molecular dissociation of solid chlorine at high pressures", J. Chem. Phys. 137, 064502 (2012).

  17. Dawei Zhou, Xilian Jin, Xing Meng, Gang Bao, Yanming Ma, Bingbing Liu, and Tian Cui, "Ab initio study revealing a layered structure in hydrogen-rich KH6 under high pressure" Phys. Rev. B 86, 014118 (2012).

  18. Yanchao Wang, Jian Lv, Li Zhu, Yanming Ma†, "CALYPSO: A method for crystal structure prediction", Comput. Phys. Commun. 183, 2063 (2012).

  19. Hanyu Liu, Hui Wang, and Yanming Ma†, "Quasi-Molecular and Atomic Phases of Dense Solid Hydrogen", J. Phys. Chem. C 116, 9221 (2012).

  20. Daisuke Nishio-Hamane, Meiguang Zhang, Takehiko Yagi, and Yanming Ma, "High-pressure and high-temperature phase transitions in FeTiO3 and a new dense FeTi3O7 structure", Am. Mineral. 97, 568 (2012).

  21. Guoying Gao, Hui Wang, Li Zhu, and Yanming Ma†, "Pressure-Induced Formation of Noble Metal Hydrides", J. Phys. Chem. C 116, 1995 (2012).

2011:

  1. Yanchao Wang, Hanyu Liu, Jian Lv, Li Zhu, Hui Wang and Yanming Ma†, "High pressure partially ionic phase of water ice", Nature Commun. 2, 563 (2011).

  2. Jian Lv, Yanchao Wang, Li Zhu, and Yanming Ma†, "Predicted Novel High-Pressure Phases of Lithium", Phys. Rev. Lett. 106, 015503 (2011).

  3. Li Zhu, Hui Wang, Yanchao Wang, Jian Lv, Yanmei Ma†, Qiliang Cui, Yanming Ma†,and Guangtian Zou, "Substitutional Alloy of Bi and Te at High Pressure", Phys. Rev. Lett. 106, 145501 (2011).

  4. Xinyu Luo, Jihui Yang, Hanyu Liu, Xiaojun Wu, Yanchao Wang, Yanming Ma, Su-Huai Wei, Xingao Gong, and Hongjun Xiang, "Predicting Two-Dimensional Boron-Carbon Compounds by the Global Optimization Method", J. Am. Chem. Soc. 133, 16285 (2011).

  5. V. Kanchana, G. Vaitheeswaran, Xinxin Zhang, Yanming Ma, A. Svane, and O. Eriksson, "Lattice dynamics and elastic properties of the 4f electron system: CeN",Phys. Rev. B 84, 205135 (2011).

  6. Xinxin Zhang, Yanchao Wang, Hui Wang, Qiliang Cui, Chengxin Wang, Yanming Ma†, and Guangtian Zou, "Pressure-induced amorphization in mayenite (12CaO﹞7Al2O3)", J. Chem. Phys. 135, 094506 (2011).

  7. Cheng Lu, Xiaoyu Kuang, Zhiwen Lu, Aijie Mao, and Yanming Ma, "Determination of Structures, Stabilities, and Electronic Properties for Bimetallic Cesium-Doped Gold Clusters: A Density Functional Theory Study", J. Phys. Chem. A  115, 9273 (2011).

  8. Hongbo Wang, Xin Liu, Yinwei Li, Yanhui Liu, Yanming Ma†, "First-principles study of phase transitions in antiferromagnetic XF2 (X=Fe,Co and Ni)", Solid State Commun. 151, 1475 (2011).

  9. Xin Chen, Ziwei Wang, and Yanming Ma†, "Atomistic Design of High Thermoelectricity on Si/Ge Superlattice Nanowires", J. Phys. Chem. C, 115, 20696 (2011).

  10. Yinwei Li, Quan Li, Yanming Ma† , " B2CO: A potential superhard material in the B-C-O system", Europhys. Lett. 95, 66006 (2011).

  11. Guoying Gao, Hui Wang, Aitor Bergara, Yinwei Li, Guangtao Liu, and Yanming Ma†, "Metallic and superconducting gallane under high pressure", Phys. Rev. B 84, 064118 (2011).

  12. Yinwei Li, and Yanming Ma†, "Crystal structures of YH3 under high pressure", Solid State Commun. 151, 388 (2011).

  13. Hanyu Liu, Quan Li, Li Zhu, and Yanming Ma†, "Superhard polymorphs of diamond-like BC7", Solid State Commun. 115, 716 (2011).

  14. Quan Li, Wanjin Chen, Yang Xia, Yanhui Liu, Hongbo Wang, Hui Wang, and Yanming Ma†, "Superhard phases of B2O: An isoelectronic compound of diamond", Diamond Relat. Mater. 20, 501 (2011).

  15. Hanyu Liu, Quan Li, Li Zhu, and Yanming Ma†, "Superhard and superconductive polymorphs of diamond-like BC3", Phys. Lett. A 375, 771 (2011).

  16. Yong Sun, Hao Cui,Li Gong,Jian Chen,Juncong She,Yanming Ma,Peikang Shen,and Chengxin Wang, "Carbon-in-Al4C3 Nanowire Superstructures for Field Emitters", ACS Nano 5, 932 (2011).

2010:

  1. Yanchao Wang, Jian Lv, Li Zhu, and Yanming Ma†, "Crystal structure prediction via particle-swarm optimization", Phys. Rev. B 82, 094116 (2010).

  2. Yinwei Li, Guoying Gao, Yu Xie, Yanming Ma†, Tian Cui, Guangtian Zou, "Superconductivity at ~100 K in Dense SiH4(H2)2 Predicted by First Principles", Proc. Natl. Acad. Sci. USA 107, 15708 (2010).

  3. Yu Xie, Artem R. Oganov, and Yanming Ma†, "Novel high pressure structures and superconductivity of CaLi2", Phys. Rev. Lett. 104, 177005 (2010).

  4. Dafang Li, Yanming Ma†, and Jun Yan†, "Comment on "Pressure-Dependent Metallic and Superconducting Phases in a Germanium Artificial Metal", Phys. Rev. Lett. 104, 139701 (2010).

  5. Artem R. Oganov, Yanming Ma, Ying Xu, Ion Errea, Aitor Bergara, Andriy O Lyakhov, "Exotic behavior and crystal structures of calcium under pressure", Proc. Natl. Acad. Sci. USA 107, 7646 (2010).

  6. Guoying Gao, Artem R. Oganov, Peifang Li, Zhenwei Li, Hui Wang, Tian Cui, Yanming Ma†, Aitor Bergara, Andriy O. Lyakhov, Toshiaki Iitaka, and Guangtian Zou, "High-pressure crystal structures and superconductivity of Stannane (SnH4)", Proc. Natl. Acad. Sci. USA 107, 1317 (2010).

  7. Weiwei Lei, Dan Liu, Yanming Ma†, Xin Chen, Fubo Tian, Pinwen Zhu, Xiaohui Chen, Qiliang Cui†, and Guangtian Zou, "Scandium-Doped AlN 1D Hexagonal Nanoprisms: A Class of Room-Temperature Ferromagnetic Materials", Angew. Chem. Int. Ed. 49, 173 (2010).

  8. Xilian Jin, Xing Meng, Zhi He, Yanming Ma, Bingbing Liu, Tian Cui, Guangtian Zou, and Ho-kwang Mao, "Superconducting high-pressure phases of disilane", Proc. Natl. Acad. Sci. USA 107, 9969 (2010).

  9. Peifang Li, Guoying Gao, Yanchao Wang,Yanming Ma†, "Crystal Structures and Exotic Behavior of Magnesium under Pressure", J. Phys. Chem. C 114, 21745 (2010).

  10. Guoying Gao, Artem Oganov, Yanming Ma†, Hui Wang, Peifang Li, Yinwei Li, Toshiaki Iitaka, and Guangtian Zou, "Dissociation of methane under high pressure", J. Chem. Phys. 113, 144508 (2010).

  11. Yinwei Li, Guoying Gao, Quan Li, Yanming Ma†, and Guangtian Zou, "Orientationally disordered H2 in the high-pressure van der Waals compound SiH4(H2)2", Phys. Rev. B 82, 064104 (2010).

  12. Lijun Zhang, Yanchao Wang, Xinxin Zhang, and Yanming Ma†, "High-pressure phase transitions of solid HF, HCl, and HBr: An ab initio evolutionary study", Phys. Rev. B 82, 014108 (2010).

  13. Quan Li, Hui Wang, Yongjun Tian, Yang Xia, Tian Cui, JuLong He, Yanming Ma†, Guangtian Zhou, "Superhard and Superconducting Structures of BC5", J. Appl. Phys. 108, 023507 (2010).
    Highlight by:     EurekAlert, Sciencedaily, First Science, life science world, NanoWerk, Physorg

  14. Meiguang Zhang, Hui Wang, Hongbo Wang, Xinxin Zhang, Toshiaki Iitaka, Yanming Ma†, "First-Principles Prediction on the High-Pressure Structures of Transition Metal Diborides (TMB2, TM = Sc, Ti, Y, Zr)", Inorg. Chem. 49,† 6859 ( 2010).

  15. Xin Chen, Yanchao Wang, and Yanming Ma†, "High Thermoelectric Performance of Ge/Si Core−Shell Nanowires: First-Principles Prediction", J. Phys. Chem. C 114,  9096 (2010).

  16. Yan Li, Yinwei Li, Yanming Ma†,Tian Cui, and Guangtian Zou, "High-pressure phase transitions in NiAs-type compounds from first-principles calculations", Phys. Rev. B 81, 052101 (2010).

  17. Hongbo Wang, Quan Li, HuiWang, Hanyu Liu, Tian Cui, and Yanming Ma†, "Design of superhard ternary compounds under high pressure: SiC2N4 and Si2CN4", J. Phys. Chem. C 114, 8609 (2010).

  18. Meiguang Zhang, Hui Wang, Hongbo Wang, Tian Cui, and Yanming Ma†, "Structural modifications and mechanical properties of molybdenum borides from first principles", J. Phys. Chem. C 114, 6722 (2010).

  19. Xinxin Zhang, Hui Wang and Yanming Ma†, "First-principles study of the magnetic, structural and electronic properties of LiFeAs", J. Phys.: Condens. Matt. 22, 046006 (2010).

  20. Zhenwei Li, Hongbo Wang, Yan Li, Yanming Ma†, Tian Cui, and Guangtian Zou, "Pressure-induced elemental dissociation in zinc chalcogenides", New J. Phys. 12 043058 (2010).

  21. Erjun Zhao, Jian Meng, Yanming Ma† and Zhijian Wu†, "Phase stability and mechanical properties of tungsten borides from firstprinciples calculations", Phys. Chem. Chem. Phys. 12, 13158 (2010).


  22. Longhai Shen, Qiliang Cui, Yanmei Ma, Quanjun Li, Yanming Ma, Bingbing Liu, and Tian Cui, "Raman Scattering Study of AlN Nanowires under High Pressure", J. Phys. Chem. C 114, 8241 (2010).

  23. Liancheng Wang, Fubo Tian, Wanxiang Feng, Changbo Chen, Zhi He, Yanming Ma, Tian Cui, Bingbing Liu, and Guangtian Zou, "Order-disorder phase transition and dissociation of hydrogen sulfide under high pressure: Ab initio molecular dynamics study", J. Chem. Phys. 132, 164506 (2010).

2009:

  1. Yanming Ma†, Mikhail Eremets, Artem R. Oganov, Yu Xie, Ivan Trojan, Sergey Medvedev, Andriy O. Lyakhov, Mario Valle and Vitali Prakapenka,"Transparent dense sodium", Nature 458, 182 (2009).
    See also Nature News & Views,"Condensed-matter physics: Pressure for change in metals", Nature 458, 158 (2009).
    Highlighted by Nature Photonics 3, 250, (2009), Chemistry World, Chemical& Engineering News, and so on.

  2. Artem R. Oganov, Jiuhua Chen, Carlo Gatti, Yanzhang Ma, Yanming Ma, Colin W. Glass, Zhenxian Liu, Tony Yu, Oleksandr O. Kurakevych, and Vladimir L. Solozhenko,"Ionic high-pressure form of elemental boron", Nature 457, 863 (2009).

  3. Yanming Ma†, Artem R. Oganov, Zhenwei Li, Yu Xie, and Jani Kotakoski,"Novel High Pressure Structures of Polymeric Nitrogen", Phys. Rev. Lett. 102, 065501 (2009).

  4. Quan Li, Yanming Ma†, Artem R. Oganov, Hongbo Wang, Hui Wang, Ying Xu, Tian Cui, Ho-Kwang Mao, and Guangtian Zou,"Superhard Monoclinic Polymorph of Carbon", Phys. Rev. Lett. 102, 175506 (2009).
    This result has been highlighted by Nature News, http://www.nature.com/news/2009/090512/full/news.2009.446.html

  5. Yinwei Li, Hui Wang, Quan Li, Yanming Ma†, Tian Cui, and Guangtian Zou,"Twofold coordinated ground-state and eightfold high-pressure phases of heavy transition metal nitrides MN2 (M = Os, Ir, Ru and Rh)", Inorg. Chem. 48, 9904(2009).

  6. Yanming Ma†, Yanchao Wang, Artem R. Oganov,"Absence of superconductivity in the novel high-pressure polymorph of MgB2 ", Phys. Rev. B 79, 054101 (2009).

  7. Xin Chen, Yanchao Wang,Yanming Ma†, Tian Cui, and Guangtian Zou,"Origin of the High Thermoelectric Performance in Si Nanowires: A First-Principle Study", J. Phys. Chem. C 113, 14001 (2009).

  8. Yanchao Wang, Jian Lv, Yanming Ma†, Tian Cui, and Guangtian Zou "Superconductivity of MgB2 under ultra-high pressure: A first-principles study",Phys. Rev. B 80, 092505 (2009).

  9. Zhenwei Li, Ying Xu, Guoying Gao, Tian Cui, and Yanming Ma†,"Tetragonal high-pressure phase of ZnO predicted from first-principles", Phys. Rev. B 79, 193201 (2009).

  10. Hui Wang, Quan Li, Yinwei Li, Ying Xu, Tian Cui, Artem R. Oganov, and Yanming Ma†,"Ultra-incompressible phases of tungsten dinitride predicted from first principles", Phys. Rev. B 79, 132109 (2009).

  11. Ying Xu, John S. Tse, Artem R. Oganov, Tian Cui, Hui Wang, Yanming Ma†, and Guangtian Zou, "Superconducting high-pressure phase of cesium iodide", Phys. Rev. B 79, 144110 (2009).

  12. Miguel Martinez-Canales, Artem R. Oganov, Yanming Ma, Yan Yan, Andriy Lyakhov, and Aitor Bergara,"Novel Structures and Superconductivity of Silane under Pressure", Phys. Rev. Lett. 102, 087005 (2009).

  13. Jian Hao, Yinwei Li, Qiang Zhou, Dan liu, Min Li, Fangfei Li, Weiwei Lei, Xiaohui Chen,Yanming Ma, Qiliang Cui, Guangtian Zou, Jing Liu, and Xiaodong Li,"Structural Phase Transformations of Mg3N2 at High Pressure: Experimental and Theoretical Studies", Inorg. Chem. 48, 9737 (2009).

  14. Dan Liu, Weiwei Lei, Yinwei Li, Yanming Ma, Jian Hao, Xiaohui Chen, Yunxia Jin, Dedi Liu, Shidan Yu, Qiliang Cui, and Guangtian Zou,"High-Pressure Structural Transitions of Sc2O3 by X-ray Diffraction, Raman Spectra, and Ab Initio Calculations", Inorg. Chem. 48, 8251 (2009).

  15. V. Kanchana, G. Vaitheeswaran, Yanming Ma, Yu Xie, A. Svane, and O. Eriksson,"Density functional study of elastic and vibrational properties of the Heusler-type alloys Fe2VAl and Fe2VGa", Phys. Rev. B 80, 125108 (2009).

  16. Yansun Yao, J. S. Tse, K. Tanaka, F. Marsiglio, and Yanming Ma, "Superconductivity in lithium under high pressure investigated with density functional and Eliashberg theory ", Phys. Rev. B 79, 054524 (2009).

  17. Defang Duan, Xilian Jin, Yanming Ma, Tian Cui, Bingbing Liu, and Guangtian Zou, "Effect of nonhydrostatic pressure on superconductivity of monatomic iodine: An ab initio study", Phys. Rev. B 79, 064518 (2009).

2008:

  1. Guoying Gao, Artem R. Oganov, Aitor Bergara, Miguel Martinez-Canales, Tian Cui, Toshiaki IITAKA, Yanming Ma†, Guangtian Zou，"Superconducting high pressure phase of germane", Phys. Rev. Lett. 101, 107002 (2008).

  2. Qifeng Zeng, Zhi He, Xiaojiao San, Yanming Ma, Fubo Tian, Tian Cui, Bingbing Liu, Guangtian Zou, and Ho-kwang Mao, "A new phase of solid iodine with different molecular covalent bonds", Proc. Natl. Acad. Sci. USA 105, 4999 (2008).

  3. Yu Xie, Yanming Ma†, Tian Cui, Yan Li, Jian Qiu, and Guangtian Zou, "Origin of bcc → fcc phase transition in alkali metals under pressure", New J. Phys. 10，063022 (2008).

  4. Y. Li, Yanming Ma†, Y. Yan, T. Cui and G. Zou,"High-pressure polymorph of MgTe predicted by first principles ", Appl.Phys.Lett. 92, 101907 (2008).

  5. Mei Wang, Yinwei Li, Tian Cui, Yanming Ma†, and Guangtian Zou，"Origin of Hardness in WB4 and its implications for ReB4, TaB4 , MoB4 , TcB4 , and OsB4", Appl. Phys. Lett. 93，101905（2008).
    Selected as the Cover article.

  6. A. R. Oganov AR,S. Ono, Yanming Ma, C. W. Glass, and A. Garcia,"Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in Earth's lower mantle ", Earth Planet. Sci. Let., 273, 38 (2008).

  7. L. Koci, Yanming Ma, A. R. Oganov, P. Souvatzis, and R. Ahuja，" Elasticity of the superconducting metals V, Nb, Ta, Mo, and W at high pressure", Phys. Rev. B 77, 214101 (2008).

  8. Yanming Ma, Artem R. Oganov, and Yu Xie, "High-pressure structures of lithium, potassium, and rubidium predicted by an ab initio evolutionary algorithm", Phys. Rev. B 78, 014102 (2008).

  9. Xin Chen, Yi Wang, Tian Cui, Yanming Ma†, Guangtian Zou, and Toshiaki Iitaka, "HgTe: A potential thermoelectric material in the cinnabar phase", J. Chem. Phys. 128, 194713 (2008).

  10. Fubo Tian, Jinhua Wang, Zhi He, Yanming Ma, Liancheng Wang, Tian Cui, Changbo Chen, Bingbing Liu, and Guangtian Zou, "Superhard semiconducting C3N2 compounds predicted via first-principles calculations", Phys. Rev. B 78, 235431 (2008).

2007:

  1. Yanming Ma, Artem R. Oganov, and Colin W. Glass, " Structure of the metallic x -phase of oxygen and isosymmetric nature of the e - x phase transition: Ab initio s imulations", Phys. Rev. B 76, 064101 (2007).

  2. Ying Xu, Lijun Zhang, Tian Cui, Yan Li, Yu Xie, Wen Yu, Yanming Ma† , and Guangtian Zou, " First-principles study of the lattice dynamics, thermodynamic properties and electron-phonon coupling of YB6" , Phys. Rev. B 76, 214103 (2007).

  3. D. Duan, Y. Liu, Yanming Ma, Z. Liu, T. Cui, B. Liu, and G. Zou, "Ab initio studies of solid bromine under high pressure", Phys. Rev. B 76, 104113 (2007).

  4. Yi Wang, Xin Chen, Tian Cui, Yingli Niu, Yanchao Wang, Mei Wang, Yanming Ma† , and Guangtian Zou, " Enhanced thermoelectric performance of PbTe within the orthorhombic Pnma phase", Phys. Rev. B 76, 155127 (2007).

  5. Lijun Zhang, Yanchao Wang, Tian Cui, Yan Li, Yinwei Li, Zhi He, Yanming Ma† , and Guangtian Zou, "CaCl 2-type high-pressure phase of magnesium hydride predicted by ab initio phonon calculations", Phys. Rev. B 75, 144109 (2007).

  6. Yu Xie, John S. Tse, Tian Cui, Artem R. Oganov, Zhi He, Yanming Ma† , Guangtian Zou, "Electronic and Phonon instabilities in Face-centered Cubic Alkali Metals under Pressure", Phys. Rev. B 75, 064102 (2007).

  7. Jingyun Zhang, Lijun Zhang, Tian Cui, Yan Li, Zhi He, Yanming Ma† , Guangtian Zou, "Phonon and Elastic instabilities in Rocksalt Alkali Hydrides under Pressure: A First-principles Study", Phys. Rev. B 75, 104115 (2007).

  8. Bing Li, Yinwei Li, Kaifeng Yang, Qiliang Cui, Yanming Ma† , and Guangtian Zou, "Raman evidence of a new high-pressure phase in calcium hydride ", J. Phys.: Condens. Matt. 19 , 226205 (2007).

  9. Y. Yao , J. S. Tse, Yanming Ma, and K. Tanaka, "Superconductivity in high-pressure SiH 4 ", Europhysics Lett. 78, 37003 (2007).

  10. L. J. Zhang, Y. L. Niu, T. Cui, Y. Li ， Yanming Ma† , Z. He and G. T. Zou , " The broken-symmetry phase of solid hydrogen:evidence from infrared and Raman active vibrons", J. Phys.: Condens. Matt. 19, 425237 (2007).
    Selected for the top ten papers published in mainland of China in JPCM, 2007.

2006:

  1. V. V. struzhkin, H. K. Mao, J. F. Lin, R. J. Hemley, J. S. Tse, Yanming Ma et al. " Valence band X-Ray emission spectra of compressed Gemanium"， Phys. Rev. Lett. 96, 137402 (2006).

  2. Yan Li, Lijun Zhang, Tian Cui, Yanming Ma† , and Guangtian Zou, et al. " Phonon instabilities in rocksalt AgCl and AgBr under pressure studied within density functional theory", Phys. Rev. B 74, 054102 (2006).

  3. Lijun Zhang, Yu Xie, Tian Cui, Yan Li, Zhi He, Yanming Ma† , and Guangtian Zou, "Pressure-induced Enhancement of Electron-phonon Coupling in Superconducting CaC 6 from First-principles", Phys. Rev. B 74, 184519 (2006).

  4. Xiaojiao San, Yanming Ma, Tian Cui, Wenjiong He, Bai Han, Bingbing Liu, and Guangtian Zou, " Pressure-induced magnetic transition in metallic nickel hydrides by ab initio pseudopotential plane-wave calculations", Phys. Rev. B 74, 052405 (2006).

  5. Qianku Hu, Qinghua Wu, Yanming Ma, Lijun Zhang, et al. "First-principles studies of structural and electronic properties of hexagonal BC5" , Phys. Rev. B 73, 214116 (2006).

  6. L. Yang , Yanming Ma, T. Iitaka , J. S. Tse , K. Stahl , Y. Ohishi , Y. Wang , R. W. Zhang , J. F. Liu , H.-K. Mao , and J. Z. Jiang , "P ressure-induced phase transformation s in Ba8Si46 clathrate", Phys. Rev. B 74, 245209 (2006).

  7. J. S. Tse, D. D. Klug, S. Patchkovskii, Yanming Ma et al. , " Chemical bonding, electron-phonon coupling, and structural transformations in high-pressure pases of Si", J. Phys. Chem. B 110,3721(2006).

  8. L. J. Zhang, Y. L. Niu, T. Cui, Y. Li, Y. Wang, Yanming Ma† , Z. He and G. T. Zou, "Ab initio lattice dynamics evidence for the broken-symmetry phase of solid hydrogen", J. Phys.: Condens. Matt. 18, 9917(2006).
    Selected for the top ten papers published in mainland of China in JPCM, 2006.

2005:

  1. Y. Q. Cai, H. K. Mao, P. C. Chow, John S.Tse, Yanming Ma et al. " Ordering of Hydrogen Bonds in High-Pressure Low-Temperature H2O", Phys. Rev. Lett. 94, 025502 (2005).

  2. Yanming Ma†, Tian Cui, Lijun Zhang, Yu xie, G. T. Zou et al. , "Electronic and crystal structures of Osmium under high pressure", Phys. Rev. B 72,174103 (2005).

  3. Yanming Ma, John S. Tse, Tian Cui, et al. "First-principles study of electron-phonon coupling in hole- and electron-doped diamonds in the virtual crystal approximation", Phys. Rev. B 72, 014306 (2005).

  4. W. J. He, T. Cui, Yanming Ma, C. B. Chen, Z. M. Liu, G. T. Zou, "Phase boundary between the fractional quantum Hall liquid and the Wigner crystal at low filling factors and low temperatures: A path integral Monte Carlo study", Phys. Rev. B 72, 195306 (2005).

  5. John S. Tse, Yanming Ma and H.M. Tutuncu, "Superconductivity in simple elemental solids – A computational study of boron-doped diamond and high pressure phase of Li and Si", J. Phys.: Condens. Matt. 17, S911 (2005).

2001-2004:

  1. Yanming Ma, John S. Tse, and Dennis D. Klug, "Electron-phonon Coupling of a -Ga Boron", Phys. Rev. B 70, 214107 (2004).

  2. John S. Tse, Z. Li, K. Uehara, Yanming Ma, et al., "Electron-phonon coupling in high-pressure Nb", Phys. Rev. B 69, 132101 (2004).

  3. Yanming Ma, John S. Tse, and Dennis D. Klug, "First-principles study of the mechanisms for the pressure-induced phase transitions in zinc-blende CuBr and CuI", Phys. Rev. B 69, 064102 (2004).

  4. W. J. He, T. Cui, Yanming Ma, et al., "Phase transition in a classical two-dimensional electron system", Phys. Rev. B 68, 195104 (2003).

  5. Yanming Ma, John S. Tse, and Dennis D. Klug, "Pressure-induced phonon instabilities in Copper Chloride", Phys. Rev. B 67, 140301(R) (2003).

  6. Yanming Ma, Tian Cui, and G. T. Zou, " Effects of pressure on the trapping site structures and absorption spectra of Li in solid H2 : A path integral Monte Carlo study", J. Chem. Phys., 114, 3092(2001).

  7. T. Cui, Y. Takada, Q. Cui, Yanming Ma, et al., "Structural phase transition at high temperatures in solid molecular hydrogen and deuterium", Phys. Rev. B 64, 024108 (2001).

  8. Yanming Ma, Tian Cui, and G. T. Zou., "Pressure-induced behaviors of 2p energy levels of Lithium in a H2 crystal field", J. Phys.: Condens. Matt. 14, 10931 (2002).

  9. Yanming Ma, Tian Cui, and G. T. Zou, "Isotope Effects on the Absorption Spectrum of Li in Solid Hydrogens under High Pressures", Chem. Phys. Lett. 343, 604 (2001).

  10. Yanming Ma, Tian Cui, and G. T. Zou, "Effects of temperature on the absorption spectra of Li in solid H 2 under high pressure: A path integral Monte Carlo study", J. Low Temp. Phys.. 124, 587 (2001).
Invited Reviews/Book Chapters

† Correspongding Author

  1. 李全，马琰铭†, "典型双原子分子晶体的高压解离和单原子相", 高压物理学报 27, 313 (2013)

  3. B. Rousseau, Yu Xie, Yanming Ma†, and A. Bergara, "Exotic high pressure behavior of light alkali metals, lithium and sodium", Eur. Phys. J. B 81, 1 (2011).

  5. Quan Li, Hui Wang, and Yanming Ma†,"Predicting New Superhard Phases", J. Superhard Mater. 32, 192 (2010).

  6. .

  7. A. R. Oganov, Yanming Ma, A. O. Lyakhov, M. Valle, and C. Gatti,"Evolutionary crystal structure prediction as a method for the discovery of minerals and materials",Rev. Min. Geochem. 71, 271 (2010).

  9. A. R. Oganov, Yanming Ma, C. W. Glass,and M. Valle,"Evolutionary crystal structure prediction: overview of the USPEX method and some of its applications(invited review). Psi-k Newsletter 84, 142 (2007). Highlight of the Month