Publications 

Full List of Papers

†Corresponding Author

2025:

  1. Hong Jian Zhao†, Yuhao Fu, Yurong Yang, Yanchao Wang, Laurent Bellaiche, and Yanming Ma, "Electrically Switchable Longitudinal Nonlinear Conductivity in Magnetic Semiconductors", Phys. Rev. Lett. 134 , 046801 (2025)

  2. Chuanheng Ma, Yuan Ma, Hui Wang, Hongbo Wang, Mi Zhou, Guangtao Liu†, Hanyu Liu†, and Yanming Ma†, "Hydrogen-Vacancy-Induced Stable Superconducting Niobium Hydride at High Pressure", J. Am. Chem. Soc. (2025)

  3. Chuanheng Ma, Mi Zhou, Jingkai Bi, Yuan Ma, Dongdong Li, Hanyu Liu, Guangtao Liu†, Hongbo Wang†, and Yanming Ma†, "Synthesis of medium-entropy alloy superhydride (La, Y, Ce)H10±x with high-temperature superconductivity under high pressure", Phys. Rev. B 111 , 024505 (2025)

  4. Rohit Dahule†, Bo Gao, Kenta Hongo, Emila Panda, Yanming Ma, and Ryo Maezono†, "Stability and Electronic Properties of SnS/ZnS Interfaces: A First-Principles Investigation", J. Phys. Chem. C 129 , 3158 (2025)

  5. Hang Zhai, Weiguang Gong, Xi Shen, Xubin Ye, Xianqi Song, Peng Liu, Dayu Yan,Youguo Shi, Richeng Yu, Xiaohui Yu†, Quan Li†, and Yanming Ma†, "Significant enhancement of hardness and stability in the ScxTa1-xB2 transition-metal diborides system", Fundamental Research (2025)

2024:

  1. Xiaoju Chang, Bo Chen, Qiyu Zeng, Han Wang, Kaiguo Chen, Qunchao Tong, Xiaoxiang Yu, Dongdong Kang, Shen Zhang, Fangyu Guo, Yong Hou, Zengxiu Zhao, Yansun Yao†, Yanming Ma†, and Jiayu Dai†, "Theoretical evidence of H-He demixing under Jupiter and Saturn conditions", Nature Commun. 15, 8543 (2024)

  2. Xin-Ling He, Wenbo Zhao, Yu Xie , Andreas Hermann , Russell J Hemley, Hanyu Liu† and Yanming Ma, "Predicted hot superconductivity in LaSc2H24 under pressure", Proc. Natl. Acad. Sci. USA 121, e2401840121 (2024)

  3. Kui Wang, Hongjian Zhao, Guangtao Liu, Mi Zhou, Yinqi Chen, Qiushi Li, Guangchen Ma, Hongbo Wang†, Russell J. Hemley†, and Yanming Ma†, "Evidence for a metal–bosonic insulator–superconductor transition in compressed sulfur", Proc. Natl. Acad. Sci. USA 122, e2420904122 (2024)

  4. Hong Jian Zhao, Yuhao Fu, Longju Yu, Yanchao Wang†, Yurong Yang, Laurent Bellaiche, and Yanming Ma†, "Creating Ferroelectricity in Monoclinic (HfO2)1/(CeO2)1 Superlattices", Phys. Rev. Lett. 132, 256801 (2024)

  5. Sen Shao, Jian Lv, Xin Li, Lu Li, Peng Liu, Zhaodong Liu†, Changfeng Chen†, Yanchao Wang†, and Yanming Ma†, "New MgSiO4H2 Phases as Potential Primary Water Carriers into the Deep Earth", Phys. Rev. Lett. 133, 214101 (2024)

  6. Hong Jian Zhao, Lingling Tao†, Yuhao Fu†, Laurent Bellaiche, and Yanming Ma†, "General Theory for Longitudinal Nonreciprocal Charge Transport", Phys. Rev. Lett. 133, 096802 (2024)

  7. Wencheng Lu, Siyu Liu, Mi Zhou, Hongbo Wang, Guangtao Liu†, Hanyu Liu† and Yanming Ma†, "Observation of Iron with Eight Coordination in Iron Trifluoride under High Pressure", Angew. Chem.Int. Ed. 63, e2023193 (2024)

  8. Pengfei Hou, Yumiao Tian, Yu Xie, Quan Li, Gang Chen, Fei Du†, Jianzhong Wu†, Yanming Ma, and Xing Meng†, "Proton-Driven Dynamic Behavior of Nanoconfined Water in Hydrophilic MXene Sheets", Angew. Chem.Int. Ed. 63, e202411849 (2024)

  9. Zefang Wang, Hong jian Zhao, Xin Zhong†, Hanyu Liu†, and Yanming Ma†, "Unlocking the origin of stability and superconductivity in LaBeH8 at submegabar pressure", Phys. Rev. B. 109, 214506 (2024)

  10. Zhenyu Wang, Xiaoyang Wang, Xiaoshan Luo, Pengyue Gao, Ying Sun, Jian Lv†, Han Wang†, Yanchao Wang†, and Yanming Ma†, "Concurrent learning scheme for crystal structure prediction", Phys. Rev. B. 109, 094117 (2024)

  11. Cheng Ma, Qiang Xu, Wenhui Mi†, Yanchao Wang†, and Yanming Ma†, "Nonlocal pseudopotential energy density functional for semiconductors", Phys. Rev. B. 109 , 075144 (2024)

  12. Han Liu, Chang Liu†, Yanming Ma†, and Changfeng Chen†, "Prominent stress-driven anomalies in superconductivity of yttrium hexahydride", Phys. Rev. B. 109 , 064513 (2024)

  13. Lantian Xue, Qiang Xu, Cheng Ma, Wenhui Mi, Yanchao Wang, Yu Xie†, and Yanming Ma†, "Accelerating ab initio real-space electronic structure calculations for low-dimensional materials using an atom-sphere grid truncation method", Phys. Rev. B. 110 , 155157 (2024)

  14. Cheng Ma, Min Chen, Yu Xie, Qiang Xu†, Wenhui Mi†, Yanchao Wang†, and Yanming Ma†, "Nonlocal free-energy density functional for a broad range of warm dense matter simulations", Phys. Rev. B. 110 , 085113 (2024)

  15. Lu Li, Bing Yu, Pengyue Gao, Jian Lv†, Lei Zhang†, Yanchao Wang†, and Yanming Ma†, "Representing crystal potential energy surfaces via a stationary-point network", Acta Mater. 281 , 120403 (2024)

  16. Qiang Xu, Cheng Ma, Wenhui Mi†, Yanchao Wang†, and Yanming Ma†, "Recent advancements and challenges in orbital-free densityfunctional theory", WIREs Comput. Mol. Sci. 14 , e1724 (2024)

  17. Feng Peng, Yanming Ma, Chris J. Pickard, Hanyu Liu†, Maosheng Miao†, "Universal insertion of molecules in ionic compounds under pressure", Natl. Sci. Rev. 11, nwae016 (2024)

  18. Ying Sun , Xin Zhong† , Hanyu Liu†, and Yanming Ma†, "Clathrate metal superhydrides under high-pressure conditions: enroute to room-temperature superconductivity", Natl. Sci. Rev. 11, nwad270 (2024)

  19. Xiaoshan Luo, Zhenyu Wang, Pengyue Gao, Jian Lv†, Yanchao Wang†, Changfeng Chen† and Yanming Ma†, "Deep learning generative model for crystal structure prediction", npj Comput. Mater. 10, 254 (2024)

  20. Jurong Zhang , Hanyu Liu†, Changfeng Chen and Yanming Ma, "Sequestration of helium and xenon via iron-halide compounds in early Earth", Matter Radiat. Extremes 9, 037403 (2024)

  21. Wencheng Lu, Siyu Liu, Jinqun Cai, Ping Ning, Chuanheng Ma, Guangtao Liu, Hongbo Wang, Qing Guo†, Mi Zhou†, Yanchao Wang and Yanming Ma†, "High-pressure and high-temperature modulation of one-dimensional infinite chain in SeO2", Appl. Phys. Lett. 124, 142105 (2024)

2023:

  1. Xiaoyang Wang, Zhenyu Wang, Pengyue Gao, Chengqian Zhang, Jian Lv†, Han Wang†, Haifeng Liu, Yanchao Wang, and Yanming Ma†, "Data-driven prediction of complex crystal structures of dense lithium", Nature Commun. 14 , 2924 (2023)

  2. Longju Yu, Hong Jian Zhao†, Peng Chen, Laurent Bellaiche, and Yanming Ma†, "The anti-symmetric and anisotropic symmetric exchange interactions between electric dipoles in hafnia", Nature Commun. 14 , 8127 (2023)

  3. Xiangzhuo Xing, Chao Wang, Linchao Yu, Jie Xu, Chutong Zhang, Mengge Zhang, Song Huang, Xiaoran Zhang, Yunxian Liu, Bingchao Yang, Xin Chen, Yongsheng Zhang, Jiangang Guo, Zhixiang Shi, Yanming Ma, Changfeng Chen, and Xiaobing Liu†, "Observation of non-superconducting phase changes in nitrogen doped lutetium hydrides", Nature Commun. 14 , 5991 (2023)

  4. Yinggang Song, Jingkai Bi, Yuki Nakamoto, Katsuya Shimizu, Hanyu Liu, Bo Zou, Guangtao Liu†, Hongbo Wang†, and Yanming Ma†, "Stoichiometric Ternary Superhydride LaBeH8 as a New Template for High-Temperature Superconductivity at 110 K under 80 GPa", Phys. Rev. Lett. 130 , 266001 (2023)

  5. Kui Wang, Chang Liu, Guangtao Liu, Xiaohui Yu, Mi Zhou, Hongbo Wang†, Changfeng Chen†, and Yanming Ma†, "Evidence for an emergent anomalous metallic state in compressed titanium", Proc. Natl. Acad. Sci. USA 120 , e2218856120 (2023)

  6. Xinran Liu, HongJian Zhao†, Laurent Bellaiche, and Yanming Ma†, "Zeeman spin splittings with persistent spin textures in antiferromagne`tic semiconductors", Phys. Rev. B 108, 125108 (2023)

  7. Xin-Ling He, Peiyu Zhang, Yuan Ma, Hefei Li†, Xin Zhong†, Yanchao Wang, Hanyu Liu†, and Yanming Ma, "Potential high-temperature superconductivity in the substitutional alloy of (Y,Sr)H11 under high pressure", Phys. Rev. B 107 , 134509 (2023)

  8. Sen Shao, Jian Lv, Hanyu Liu, Wencheng Lu, Peng Liu, Andreas Hermann, Yanchao Wang, Changfeng Chen and Yanming Ma, " FeSiO4H2 stabilized at subducting slab conditions: A geologically viable water carrier into the Earth's lower mantle", Phys. Rev. B 108 , 214107 (2023)

  9. Kui Wang, Yao Sun, Mi Zhou, Hanyu Liu, Guangchen Ma, Hongbo Wang, Guangtao Liu, and Yanming Ma "Superconductivity up to 37.6 K in compressed scandium", Phys. Rev. Research 5 , 043248 (2023)

  10. Siyu Liu, Wencheng Lu, Xiaoran Zhang, Jingyan Song, Jian Lü, Xiaobing Liu†, Yanchao Wang†, Changfeng Chen†, and Yanming Ma†, "A viable mechanism to form boron-bearing diamonds in deep Earth", Sci. Bull. 13, 1456 (2023)

  11. Xiaoran Zhang, Kang-Yuan Liu, Fengjiao Li, Xiaobing Liu†, Shuai Duan, Jia-Ning Wang, Gang-Qin Liu†, Xin-Yu Pan, Xin Chen, Ping Zhang, Yanming Ma, and Changfeng Chen, "Highly Coherent Nitrogen-Vacancy Centers in Diamond via Rational High-Pressure and High-Temperature Synthesis and Treatment", Adv. Funct. Mater. 33, 2309586 (2023)

  12. Guangyang Dai, Yating Jia, Bo Gao, Yi Peng, Jianfa Zhao, Yanming Ma, Changfeng Chen, Jinlong Zhu, Quan Li, Runze Yu and Changqing Jin,"Pressure-induced superconductivity in the nonsymmorphic topological insulator KHgAs", NPG Asia Mater. 15, 52 (2023)

  13. Qianyi Wang , Shoutao Zhang†, Honggang Li , Hongbo Wang , Guangtao Liu , Jiangang Ma , Haiyang Xu , Hanyu Liu †and Yanming Ma, "Coexistence of superconductivity and electride states in Ca2H with antifluorite-type motif under compression", J. Mater. Chem. A(2023)

  14. Xianqi Song, Chang Liu, Quan Li†, Yanming Ma†, and Changfeng Chen†, "Intrinsic dense twinning via release of native strain", Acta Mater. 257,119151 (2023)

  15. Linlin Liu, Yu Xie†, John S. Tse†, and Yanming Ma, "Theoretical design of two-dimensional AMInP2X3Y3 (AM = Li, Na, K; X/Y = S, Se, Te) monolayers for highly efficient excitonic solar cells", Mater. Adv. 4 , 570 (2023)

2022:

  1. Qiang Xu, Cheng Ma, Wenhui Mi, Yanchao Wang†, and Yanming Ma†, "Nonlocal pseudopotential energy density functional for orbital-free density functional theory", Nature Commun. 13 , 1385 (2022)

  2. Jingkai Bi, Yuki Nakamoto, Peiyu Zhang, Katsuya Shimizu, Bo Zou, Hanyu Liu†, Mi Zhou, Guangtao Liu†, Hongbo Wang†,and Yanming Ma, "Giant enhancement of superconducting critical temperature in substitutional alloy (La,Ce)H9", Nature Commun. 13 , 5925 (2022)

  3. Xianqi Song, Chang Liu, Quan Li†, Russell J. Hemley†, and Yanming Ma†, Changfeng Chen†, "Stress-induced high-Tc superconductivity in solid molecular hydrogen", Proc. Natl. Acad. Sci. USA 119 , e2122691119 (2022)

  4. Liang Ma, Kui Wang, Yu Xie, Xin Yang, Yingying Wang, Mi Zhou, Hanyu Liu, Xiaohui Yu, Yongsheng Zhao, Hongbo Wang†, Guangtao Liu†, and Yanming Ma†, "High-Temperature Superconducting Phase in Clathrate Calcium Hydride CaH6 up to 215 K at a Pressure of 172 GPa", Phys. Rev. Lett. 128 , 167001 (2022)

  5. Pin-Wen Guan, Ying Sun, Russell J. Hemley, Hanyu Liu, Yanming Ma, and Venkatasubramanian Viswanathan†, "Low-Pressure Electrochemical Synthesis of Complex High-Pressure Superconducting Superhydrides", Phys. Rev. Lett. 128 , 186001 (2022)

  6. Wencheng Lu, Siyu Liu, Guangtao Liu, Kun Hao, Mi Zhou, Pengyue Gao, Hongbo Wang, Jian Lv, Huiyang Gou, Guochun Yang, Yanchao Wang†, and Yanming Ma, "Disproportionation of SO2 at High Pressure and Temperature", Phys. Rev. Lett. 128 , 106001 (2022)

  7. Hong Jian Zhao, Xinran Liu, Yanchao Wang†, Yurong Yang, Laurent Bellaiche, and Yanming Ma†, "Zeeman Effect in Centrosymmetric Antiferromagnetic Semiconductors Controlled by an Electric Field", Phys. Rev. Lett. 129 , 187602 (2022)

  8. Xin Qu, Lihua Yang, Jian Lv†, Yu Xie, Jinghai Yang, Yukai Zhang, Yanchao Wang†, Jijun Zhao, Zhongfang Chen†, and Yanming Ma, "Particle Swarm Predictions of a SrB8 Monolayer with 12-Fold Metal Coordination", J. Am. Chem. Soc. 144 , 11120 (2022)

  9. Xin Zhong, Ying Sun, Toshiaki Iitaka, Meiling Xu, Hanyu Liu†, Russell J. Hemley, Changfeng Chen†, and Yanming Ma†, "Prediction of Above-Room-Temperature Superconductivity in Lanthanide/Actinide Extreme Superhydrides", J. Am. Chem. Soc. 144 , 13394 (2022)

  10. Hang Zhai, Rui Xu, Jianhong Dai, Xiaoli Ma, Xiaohui Yu†, Quan Li†, and Yanming Ma†, "Stabilized Nitrogen Framework Anions in the Ga−N System", J. Am. Chem. Soc. 144 , 21640 (2022)

  11. Yanchao Wang, Jian Lv†, Pengyue Gao† and Yanming Ma†, "Crystal Structure Prediction via Efficient Sampling of the Potential Energy Surface", Acc. Chem. Res. 55 , 2068 (2022)

  12. Peng Liu, Yanchao Wang†, Hongjian Zhao†, Laurent Bellaiche, and Yanming Ma, "Magnetically controllable band splittings in Pnma ferromagnetic materials", Phys. Rev. B 105 , 054402 (2022)

  13. Chang Liu, Xinlei Gu, Kan Zhang†, Weitao Zheng, Yanming Ma, and Changfeng Chen†, "Superhard metallic compound TaB2 via crystal orientation resolved strain stiffening", Phys. Rev. B 105 , 024105 (2022)

  14. Tianchun Wang†, José A. Flores-Livas, Takuya Nomoto,Yanming Ma, Takashi Koretsune, and Ryotaro Arita, "Optimal alloying in hydrides: Reaching room-temperature superconductivity in LaH10", Phys. Rev. B 105 , 174516 (2022)

  15. Hong Jian Zhao, Yanchao Wang, Yurong Yang, Yanming Ma, and Laurent Bellaiche"Zeeman-type energy level splittings controlled by an electric field", Phys. Rev. B 106 , 024104 (2022)

  16. Meiling Xu, Yinwei Li†, and Yanming Ma†, "Materials by design at high pressures", Chem. Sci. 13 , 329 (2022)

  17. Xin Yang, Hanyu Liu, Zexing Qu, Yu Xie, and Yanming Ma, "A theoretical roadmap for the best oxygen reduction activity in two-dimensional transition metal tellurides", Chem. Sci. 13 , 11048 (2022)

  18. Siyu Liu, Pengyue Gao, Andreas Hermann, Guochun Yang, Jian Lv†, Yanming Ma, Ho-Kwang Mao†, and Yanchao Wang†, "Stabilization of S3O4 at high pressure: implications for the sulfur-excess paradox", Sci. Bull. 67 , 971 (2022)

  19. Jurong Zhang, Hanyu Liu, Yanming Ma, and Changfeng Chen†, "Direct H-He Chemical Association in Superionic FeO2H2He at Deep-Earth Conditions", Natl. Sci. Rev. 9 , nwab168 (2022)

  20. Maosheng Miao†, Yuanhui Sun, Hanyu Liu, and Yanming Ma, "Open questions on the high-pressure chemistry of the noble gases", Commun. Chem. 5 , 15 (2022)

  21. Xuecheng Shao, Jian Lv, Peng Liu, Sen Shao, Pengyue Gao, Hanyu Liu, Yanchao Wang†, and Yanming Ma†, "A symmetry-orientated divide-and-conquer method for crystal structure prediction", J. Chem. Phys. 156 , 014105 (2022)

  22. Pengyue Gao, Bo Gao, Shaohua Lu, Hanyu Liu, Jian Lv†, Yanchao Wang, and Yanming Ma, "Structure search of two-dimensional systems using CALYPSO methodology", Front. Phys. 17 , 23203 (2022)

  23. Boeri Lilia†, Richard Hennig†, Peter Hirschfeld†, Gianni Profeta†, Warren E Pickett, Mikhail I Eremets, Hanyu Liu, Yanming Ma, Carlo Pierleoni, Aleksey N Kolmogorov, Nikita Rybin, Dmitry Novoselov, Vladimir Anisimov, Artem R Oganov, Chris J Pickard, Tiange Bi, Ryotaro Arita, Ion Errea, Camilla Pellegrini, Ryan Requist, E K U Gross, Elena Roxana Margine, Stephen R Xie, Yundi Quan, Ajinkya Hire, Laura Fanfarillo, G R Stewart, J J Hamlin, Valentin Stanev, Renato S Gonnelli, Erik Piatti, Davide Romanin, Dario Daghero, and Roser Valenti, "The 2021 room-temperature superconductivity roadmap", J. Phys.: Condens. Matter 34 , 183002 (2022)

2021:

  1. Zhuangchai Lai, Qiyuan He, Thu Ha Tran, D. V. Maheswar Repaka, Dong-Dong Zhou, Ying Sun, Shibo Xi, Yongxin Li, Apoorva Chaturvedi, Chaoliang Tan, Bo Chen, Gwang-Hyeon Nam, Bing Li, Chongyi Ling, Wei Zhai, Zhenyu Shi, Dianyi Hu, Vinay Sharma, Zhaoning Hu, Ye Chen, Zhicheng Zhang, Yifu Yu, Xiao Renshaw Wang, Raju V. Ramanujan, Yanming Ma, Kedar Hippalgaonkar†, and Hua Zhang†, "Metastable 1T′-phase group VIB transition metal dichalcogenide crystals", Nature Mater. 20 , 1113 (2021)

  2. Dan Sun†, Vasily S. Minkov, Shirin Mozaffari, Ying Sun, Yanming Ma, Stella Chariton, Vitali B. Prakapenka, Mikhail I. Eremets, Luis Balicas, and Fedor F. Balakirev, "High-temperature superconductivity on the verge of a structural instability in lanthanum superhydride", Nature Commun. 12 , 6863 (2021)

  3. Liang Ma, Mi Zhou, Yingying Wang, Saori Kawaguchi, Yasuo Ohishi, Feng Peng, Hanyu Liu, Guangtao Liu†, Hongbo Wang†, and Yanming Ma†, "Experimental clathrate superhydrides EuH6 and EuH9 at extreme pressure conditions", Phys. Rev. Research 3 , 043107 (2021)

  4. Qunchao Tong, Xiaoshan Luo, Adebayo A. Adeleke, Pengyue Gao, Yu Xie, Hanyu Liu, Quan Li, Yanchao Wang, Jian Lv†, Yansun Yao†, and Yanming Ma†, "Machine learning metadynamics simulation of reconstructive phase transition", Phys. Rev. B 103, 054107 (2021)

  5. Qiuping Yang, Jian Lv, Qunchao Tong, Xin Du, Yanchao Wang, Shoutao Zhang, Guochun Yang†, Aitor Bergara†, and Yanming Ma†, "Hard and superconducting cubic boron phase via swarm-intelligence structural prediction driven by a machine-learning potentia", Phys. Rev. B 103, 024505 (2021)

  6. Sheng Wang, Wencheng Lu, Siyu Liu, Mi Zhou, Pengyue Gao†, Hongbo Wang, Jian Lv, Huiyang Gou, Guangtao Liu†, Hanyu Liu, Yanchao Wang, and Yanming Ma, "Synthesis of calcium polysulfides at high pressures", Phys. Rev. B 104, 054117 (2021)

  7. Chang Liu, Xianqi Song, Quan Li†, Yanming Ma†, and Changfeng Chen†, "Superconductivity in Shear Strained Semiconductors", Chin. Phys. Lett. 38 , 086301 (2021) [Express Letter]

  8. Han Liu, Chang Liu, Quan Li†, Yanming Ma†, and Changfeng Chen†, "Pressure-Induced Evolution of Crystal and Electronic Structure of Ammonia Borane", J. Phys. Chem. Lett. 12 , 2036 (2021)

  9. Yang Wu, Hong-Xia Yu, Chun-Hua Yang, He-Na Zhang, Liang-Hui Zhu, Yanming Ma, Xiao-Chun Wang†, and Sean Xiao-An Zhang†, "Essential effect of proton coupled electron sequent transfer on photocatalytic water complete dissociation: A DFT study", Int. J. Hydrog. Energy 46 , 34216 (2021)

2020:

  1. Xiaoling Zhou, Zongqiang Feng, Linli Zhu, Jianing Xu, Lowell Miyagi, Hongliang Dong, Hongwei Sheng, Yanju Wang, Quan Li, Yanming Ma, Hengzhong Zhang, Jinyuan Yan, Nobumichi Tamura, Martin Kunz, Katie Lutker, Tianlin Huang, Darcy A. Hughes, Xiaoxu Huang†, and Bin Chen†, "High-pressure strengthening in ultrafine-grained metals", Nature 579, 67 (2020)

  2. Feng Peng, Xianqi Song, Chang Liu, Quan Li†, Maosheng Miao, Changfeng Chen†, and Yanming Ma†, "Xenon iron oxides predicted as potential Xe hosts in Earth’s lower mantle ", Nature Commun. 11, 5227 (2020)

  3. Yanchao Wang, Meiling Xu, Liuxiang Yang, Bingmin Yan, Qin Qin, Xuecheng Shao, Yunwei Zhang, Dajian Huang, Xiaohuan Lin, Jian Lv, Dongzhou Zhang, Huiyang Gou† , Ho-kwang Mao, Changfeng Chen† and Yanming Ma†, "Pressure-stabilized divalent ozonide CaO3 and its impact on Earth’s oxygen cycles", Nature Commun. 11, 4702 (2020)

  4. Seung Yong Lee, Jae-Yeol Hwang, Jongho Park, Chandani N. Nandadasa, Younghak Kim, Joonho Bang, Kimoon Lee, Kyu Hyoung Lee, Yunwei Zhang, Yanming Ma, Hideo Hosono, Young Hee Lee, Srong-Gon Kim, Sung Wng Kim†, "Ferromagnetic quasi-atomic electrons in two-dimensional electride", Nature Commun.11 , 1526 (2020)

  5. Chang Liu, Xianqi Song, Quan Li†, Yanming Ma†, and Changfeng Chen†, "Superconductivity in compression-shear deformed diamond", Phys. Rev. Lett. 124, 147001 (2020)

  6. 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)

  7. Se Hwang Kang, Joonho Bang, Kyungwha Chung, Chandani N. Nandadasa, Gyeongtak Han, Subin Lee, Kyu Hyoung Lee, Kimoon Lee, Yanming Ma, Sang Ho Oh, Seong-Gon Kim, Young-Min Kim, Sung Wng Kim†, "Water- and acid-stable self-passivated dihafnium sulfide electride and its persistent electrocatalytic reaction", Sci. Adv. 6, 7416 (2020)

  8. 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 FirstPrinciples Structure Prediction Scheme", Chem. Mater. 32 , 85 (2020)

  9. Ketao Yin, Pengyue Gao, Xuecheng Shao, Bo Gao, Hanyu Liu, Jian Lv, John S. Tse†, Yanchao Wang†, and Yanming Ma†, "An automated predictor for identifying transition states in solids", NPJ Comput. Mater. 6, 16 (2020)

  10. 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. 6, 11 (2020)

  11. 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)

  12. 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)

  13. 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 (2020)

  14. 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)

  15. Feng Peng, Yanming Ma †, Andreas Hermann, and Maosheng Miao, " Recoverable high-energy compounds by reacting methane and nitrogen under high pressure ", Phys. Rev. Materials 4, 103610 (2020)

  16. Yue Zhao, Hang Cui, Jian Zhang, Yanmei Ma, Hui Tian, Lianwei Wu, Qiliang Cui, and Yanming Ma, " Pressure-Induced Phase Transformation of Botallackite α Cu2(OH)3Cl with a Two-Dimensional Layered Structure Synthesized via a Hydrothermal Strategy ", J. Phys. Chem. C 124, 9581 (2020)

  17. Pengfei Shen, Douglas A. Blom, Sen Shao, Jinhyuk Choi, Thomas Vogt, Yanming Ma, Lin Wang, and Yongjae Lee† "Pressure-Induced Enhancement of Optical Properties in Indium Oxide Nanowires ", J. Phys. Chem. C 124, 10244 (2020)

  18. Jian Lv,  Ying Sun, Hanyu Liu, and Yanming Ma †, "Theory-orientated discovery of high-temperature superconductors in superhydrides stabilized under high pressure ", Matter and Radiation at Extremes 5, 068101 (2020)

2019:

  1. 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.

  2. 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)

  3. 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)

  4. 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)

  5. 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)

  6. Weiguang Gong, Chang Liu, Xianqi Song, Quan Li†, Yanming Ma, and Changfeng Chen†, "Unravelling the structure and strength of the highest boride of tungsten WB4.2", Phys. Rev. B 100, 220102 (2019)

  7. 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 (2019).

  8. Qiang Xu, Yanchao Wang†, and Yanming Ma†, "Nonlocal kinetic energy density functional via line integrals and its application to orbital-free density functional theory", Phys. Rev. B 100, 205132 (2019).

  9. 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.

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

  11. 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.

  12. Hui Tian, Yingying Wang, Jian Zhang†, Yanmei Ma†, Hang Cui, Qiliang Cui, and Yanming Ma "Compression Behavior of Copper Hydroxyfluoride CuOHF as a Case Study of the High-Pressure Responses of the Hydrogen-Bonded Two-Dimensional Layered Materials", J. Phys. Chem. C 123, 25492 (2019)

  13. Qiang Xu, Sheng Wang, Lantian Xue, Xuecheng Shao, Pengyue Gao, Jian Lv, Yanchao Wang†, and Yanming Ma† "Ab initio electronic structure calculations using a real-space Chebyshev-filtered subspace iteration method", J. Phys.: Condens. Matter 31, 455901 (2019)

  14. 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)

  15. 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. 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)

  7. Xiaolei Feng, Siyu Lu, Chris J.Pickard, Hanyu Liu†, Simon A.T.Redfern†, and Yanming Ma†, "Carbon network evolution from dimers to sheets in superconducting ytrrium dicarbide under pressure", Commun. Chem. 1, 85 (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, 10687 (2018)

  9. Xin Zhong, Meiling Xu, Lili Yang, Xin Qu, Lihua Yang, Miao Zhang, Hanyu Liu† and Yanming Ma†, "Predicting the structure and stability of titanium oxide electrides", NPJ Comput. Mater. 4, 70 (2018)

  10. Victor Naden Robinson, Miriam Marqués, Yanchao Wang, Yanming Ma, and Andreas Hermann†, "Novel phases in ammonia-water mixtures under pressure", J. Chem. Phys. 149 , 234501 (2018)

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

  12. 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)

  13. 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)

  14. 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)

  15. 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)

  16. 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)

  17. 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)

  18. Yingying Wang, Yanmei Ma†, Guangtao Liu, Jianyun Wang, Yue Li, Quan Li, Jian Zhang†, Yanming Ma, and Guangtian Zou, "Experimental Observation of the High Pressure Induced Substitutional Solid Solution and Phase Transformation in Sb2S3", Sci. Rep. 8, 14795 (2018)

  19. Xuecheng Shao, Qiang Xu, Sheng Wang, Jian Lv, Yanchao Wang†, and Yanming Ma, "Large-scale ab initio simulations for periodic system", Comput. Phys. Commun. 233 , 78 (2018)

  20. 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 Hermanna†, "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 AlkalineEarth 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", Phys. Rev. X 7, 11017 (2017)

  8. Qiaoling Xu, Yuwei Li, Lijun Zhang†, Weitao Zheng, David J. Singh†, and Yanming Ma, "Sn (II)-Containing Phosphates as Optoelectronic Materials", Chem. Mater. 26, 2459 (2017)

  9. Meiling Xu, Sen Shao, Bo Gao, Jian Lv, Quan Li, Yanchao Wang†, Hui Wang†, Lijun Zhang† and Yanming Ma "Anatase (101)-like Structural Model Revealed for Metastable Rutile TiO2(011) Surface", ACS Appl. Mater. Interfaces 9, 7891 (2017)

  10. 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)

  11. Yanchao Wang†, Sheng Wang, Yunwei Zhang, Jian Lv, Yue Chen†, Weitao Zheng†, and Yanming Ma, "Ground-State Crystal Structure of Strontium Peroxide Predicted from First Principles", Inorg. Chem. 56, 7545 (2017)

  12. Chunying Pu, Dawei Zhou, Yafei Li, Hanyu Liu, Zhongfang Chen†, Yanchao Wang†, and Yanming Ma "Two-Dimensional C4N Global Minima: Unique Structural Topologies and Nanoelectronic Properties", J. Phys. Chem. C 121, 2669 (2017)

  13. Bo Gao, Jianyun Wang, Jian Lv, Xingyu Gao, Yafan Zhao, Yanchao Wang†, Haifeng Song†, and Yanming Ma, "Novel structures of oxygen adsorbed on a Zr(0001) surface predicted from first principles", Appl. Surf. Sci. 393, 422 (2017)

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

  15. 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)

  16. Dan Zhou, Quan Li†, Weitao Zheng, Yanming Ma, and Changfeng Chen†, "Structural metatransition of energetically tangled crystalline phases", Phys. Chem. Chem. Phys. 19, 4560-4566 (2017).

  17. 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.

  18. Lingquan Zhao, Xin Qu, Yanchao Wang, Jian Lv†, Lijun Zhang, Ziyu Hu†, Guangrui Gu†, and Yanming Ma, "Effects of manganese doping on the structure evolution of small-sized boron clusters", J. Phys. Condens. Matter 29 , 265401 (2017)

  19. 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. 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)

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

  8. 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)

  9. Yanming Ma†, "Near-room-temperature superconductivity in hydrogen sulfide", NPG Asia Mater. 8, e236 (2016)

  10. Anthony M. Reilly†, Richard I. Cooper, Claire S. Adjiman, Saswata Bhattacharya, A. Daniel Boese, Jan Gerit Brandenburg, Peter J. Bygrave, Rita Bylsma, Josh E. Campbell, Roberto Car, David H. Case, Renu Chadha, Jason C. Cole, Katherine Cosburn, Herma M. Cuppen, Farren Curtis, Graeme M. Day, Robert A. DiStasio Jr, Alexander Dzyabchenko, Bouke P. van Eijck, Dennis M. Elking, Joost A. van den Ende, Julio C. Facelli, Marta B. Ferraro, Laszlo Fusti-Molnar, Christina-Anna Gatsiou, Thomas S. Gee, René de Gelder, Luca M. Ghiringhelli, Hitoshi Goto, Stefan Grimme, Rui Guo, Detlef W. M. Hofmann, Johannes Hoja, Rebecca K. Hylton, Luca Iuzzolino, Wojciech Jankiewicz, Daniël T. de Jong, John Kendrick, Niek J. J. de Klerk, Hsin-Yu Ko, Liudmila N. Kuleshova, Xiayue Li, Sanjaya Lohani, Frank J. J. Leusen, Albert M. Lund, Jian Lv, Yanming Ma, Noa Marom, Artëm E. Masunov, Patrick McCabe, David P. McMahon, Hugo Meekes, Michael P. Metz, Alston J. Misquitta, Sharmarke Mohamed, Bartomeu Monserrat, Richard J. Needs, Marcus A. Neumann, Jonas Nyman, Shigeaki Obata, Harald Oberhofer, Artem R. Oganov, Anita M. Orendt, Gabriel I. Pagola, Constantinos C. Pantelides, Chris J. Pickard, Rafal Podeszwa, Louise S. Price, Sarah L. Price, Angeles Pulido, Murray G. Read, Karsten Reuter, Elia Schneider, Christoph Schober, Gregory P. Shields, Pawanpreet Singh, Isaac J. Sugden, Krzysztof Szalewicz, Christopher R. Taylor, Alexandre Tkatchenko, Mark E. Tuckerman, Francesca Vacarro, Manolis Vasileiadis, Alvaro Vazquez-Mayagoitia, Leslie Vogt, Yanchao Wang, Rona E. Watson, Gilles A. de Wijs, Jack Yang, Qiang Zhu, and Colin R. Groom, "Report on the sixth blind test of organic crystal structure prediction methods", Acta Crystallogr. Sect. B Struct. Sci. Cryst. Eng. Mater. 72, 439 (2016)

  11. 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)

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

  16. 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)

  17. 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)

  18. Xuecheng Shao, Wenhui Mi, Qiang Xu, Yanchao Wang†, and Yanming Ma† "O(N logN) scaling method to evaluate the ion-electron potential of crystalline solids", J. Chem. Phys. 145, 184110 (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. Guanjun Xiao, Xinyi Yang, Xinxin Zhang, Kai Wang, Xiaoli Huang, Zhanhui Ding, Yanming Ma, Guangtian Zou, Bo Zou†,"A Protocal to Fabricate Nanostructured New Phase:B31-Type MnS Synthesized under High Pressure", J. Am. Chem. Soc. 137, 10297 (2015)

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

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

  8. 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)

  9. 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)

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

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

  12. 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)

  13. 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)

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

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

  16. 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)

  17. 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)

  18. 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)

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

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

  21. 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)

  22. 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)

  23. Serge Desgreniers, John S. Tse†, Takahiro Matsuoka, Yasuo Ohishi, Quan Li, and Yanming Ma, "High pressure-low temperature phase diagram of barium: Simplicity versus complexity", Appl. Phys. Lett. 107, 221908 (2015).

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

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

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

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

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

  29. Yinwei Li†, Jian Hao, Hanyu Liu, John S. Tse, Yanchao Wang†, and Yanming Ma, "Pressure-stabilized superconductive yttrium hydrides", Sci. Rep. 5, 09948 (2015).

  30. Qian Li, Jianyun Wang, Miao Zhang, Quan Li†, and Yanming Ma, "Superhard-driven search of the covalent network in the B3NO system", RSC Adv. 5, 35882-35887 (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).

  21. Haiping Wu†, Yanming Ma†, Yan Qian†, Erjun Kan, Ruifeng Lu, Yuzhen Liu, Weishi Tan, Chuanyun Xiao, and Kaiming Deng, "The effect of oxygen vacancy on the half-metallic nature of double perovskite Sr2FeMoO6: A theoretical study", Solid State Commun. 177, 57 (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. Xiao-Chun Wang†, Yong Zhang, Fu-Chun Liu, Yanming Ma, Wei Feng, and Sean Xiao-An Zhang, "Dynamic nano-pulling effect of the boron-functionalized graphene monovacancy for molecule dissociation", J. Phys. D: Appl. Phys. 46 , 385302 (2013).

  8. 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).

  9. 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).

  10. 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).

  11. 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).

  12. 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).

  13. 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).

  14. 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).

  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).

  17. 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. 3, 1749 (2013).

  18. Qiang Tao, Xueping Zhao, Yanli Chen, Jia Li, Quan Li, Yanming Ma, Junjun Li, Tian Cui, Pinwen Zhu†, and Xin Wang†,"Enhanced Vickers hardness by quasi-3D boron network in MoB2", RSC Adv. 3, 18317 (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. G Vaitheeswaran†, V Kanchana, Xinxin Zhang, Yanming Ma, A Svane, and S N Kau, "Lattice instability and martensitic transformation in LaAg predicted from first-principles theory", J. Physics: Condensed Matter 24, 075402 (2012).

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

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

  16. 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).

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

  18. 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).

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

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

  21. 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).

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

  23. Y. Wang, W. Chen, X. Chen, H.Y. Liu, Z.H. Ding, Y. M. Ma, X.D. Wang, Q.P. Cao, and J.Z. Jiang†, "Crystal structures, stability, electronic and elastic properties of 4d and 5d transition metal monoborides: First-principles calculations", J. Alloy Compd. 538, 115 (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. Yinwei Li, and Yanming Ma†, "Crystal structures of YH3 under high pressure", Solid State Commun. 151, 388 (2011).

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

  17. 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).

  18. B. Rousseau, Y. Xie, Y. Ma†, and A. Bergara†, "Exotic high pressure behavior of light alkali metals, lithium and sodium", Eur. Phys. J. B 81, 1-14 (2011).

  19. Quan Li and Yanming Ma, "Phase Transitions in Light Elements under Pressure", Prog. Chem. 23 , 829 (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. Defang Duan, Xing Meng, Fubo Tian, Changbo Chen, Liancheng Wang, Yanming Ma, Tian Cui†, Bingbing Liu, Zhi He, and Guangtian Zou, "The crystal structure and superconducting properties of monatomic bromine", J. Phys.: Condens. Matter 22, 015702 (2010).

  20. 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).

  21. 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).

  22. 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).


  23. 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).

  24. Yang Xia, Quan Li, and Yanming Ma "Novel superhard polymorphs of Be3N2 predicted by first-principles", Comp. Mater. Sci. 49, S76 (2010).

  25. Yinwei Li, Jiangxin Yue, Xin Liu, Yanming Ma, Tian Cui, and Guangtian Zou, "Ultra-incompressible superconducting phase of OsC predicted by phonon calculations", Phys. Lett. A 374, 1880 (2010).

  26. 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).

  27. Yinwei Li and Yanming Ma, "Crystal structure and physical properties of OsN: First-principle calculations", Solid State Commun. 150 , 759 (2010).

  28. Q. Li, H. Wang, and Y. M. Ma, "Predicting New Superhard Phases", J. Superhard Mater. 32, 192 (2010).

  29. Artem R. Oganov†, Yanming Ma, Andriy O. Lyakhov, Mario Valle, and Carlo Gatti, "Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials", Rev. Mineral. Geochem. 71, 271-298 (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-Kwan 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. Hui Wang, Quan Li, Yanchao Wang, Guoying Gao, and Yanming Ma†, "High-pressure polymorphs of Li2BeH4 predicted by first-principles calculations", J. Phys.: Condens. Matter 21, 385405 (2009).

  9. 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).

  10. 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).

  11. 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).

  12. 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).

  13. 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).

  14. 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).

  15. 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).

  16. 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).

  17. 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).

  18. 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).

  19. Quan Li, Mei Wang, Artem R. Oganov, Tian Cui, Yanming Ma†, and Guangtian Zou, "Rhombohedral superhard structure of BC2N", J. Appl. Phys. 105, 053514 (2009).

  20. Hongbo Wang, Quan Li, Tian Cui, Yanming Ma†, and Guangtian Zou "Phase-transition mechanism of h-BN  w-BN from first principles", Solid State Commun. 149 , 843 (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).

  11. Yinwei Li, Bing Li, Tian Cui, Yan Li, Lijun Zhang, Yanming Ma†, and Guangtian Zou, "High-pressure phase transformations in CaH2, J. Phys.: Condens. Matter 20 , 045211 (2008).

  12. Y Li, L J Zhang, T Cui, Y W Li, Y Wang, Y M Ma†, and G T Zou, "First-principles studies of phonon instabilities in AgI under high pressure, J. Phys.: Condens. Matter 20 , 195218 (2008).

  13. D W Zhou, G Bao, Y M Ma, T Cui†, B B Liu, and G T Zou, "Peierls transition in sodium under high pressure: a first-principles study, J. Phys.: Condens. Matter 21 , 025508 (2008).

  14. Miao Zhang, Mei Wang, Tian Cui, Yanming Ma†, Yingli Niu, and Guangtian Zou, "Electronic structure, phase stability, and hardness of the osmium borides, carbides, nitrides, and oxides: First-principles calculations, J. Phys. Chem. Solids 69 , 2096 (2008).

  15. Guoying Gao, Yu Xie, Tian Cui, Yanming Ma†, Lijun Zhang, and Guangtian Zou, "Electronic structures, lattice dynamics, and electron-phonon coupling of simple cubic Ca under pressure, Solid State Commun. 146 , 181 (2008).

  16. Lijun Zhang, Yanchao Wang, Tian Cui, Yanming Ma†, and Guangtian Zou, "First-principles study of the pressure-induced rutile-CaCl2 phase transition in MgF2, Solid State Commun. 145 , 283 (2008).

  17. Y. Yan, J. Y. Zhang, T. Cui, Y. Li, Y. M. Ma†, J. Gong, Z. G. Zong, and G. T. Zou, "First-principles study of high pressure phase transformations in Li3N, Eur. Phys. J. B 61 , 397 (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. Yu Xie, John S. Tse, Tian Cui, Artem R. Oganov, Zhi He, Yanming Ma†, and Guangtian Zou, " Electronic and phonon instabilities in face-centered-cubic alkali metals under pressure studied using ab initio calculations" , Phys. Rev. B 75, 064102 (2007).

  4. 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).

  5. 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).

  6. 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).

  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. Q Li, Y Li, T Cui, Y Wang, L J Zhang, Y Xie, Y L Niu, Y M Ma, and G T Zou, "The effects of pressure on the electronic, transport and dynamical properties of AuX2 (X = Al, Ga and In) ", J. Phys.: Condens. Matt. 19 , 425224 (2007).

  10. X L Wang, Z He, Y M Ma, T Cui†, Z M Liu, B B Liu, J F Li, and G T Zou, "Prediction of a new layered phase of nitrogen from first-principles simulations ", J. Phys.: Condens. Matt. 19, 425226 (2007).

  11. John S. Tse, Yansun Yao, and Yanming Ma, "Superconductivity in high-pressure solids ", J. Phys.: Condens. Matt. 19, 425208 (2007).

  12. J Y Zhang, L J Zhang, T Cui, Y L Niu, Y M Ma†, Z He, and G T Zou, "A first-principles study of electron-phonon coupling in electron-doped LiH", J. Phys.: Condens. Matter 19, 425218 (2007).

  13. G. Y. Gao, Y. L. Niu, T. Cui, L. J. Zhang, Y. Li, Y. Xie, Z. He, Y. M. Ma†, and G. T. Zou, "Superconductivity and lattice instability in face-centered cubic lanthanum under high pressure", J. Phys.: Condens. Matter 19, 425234 (2007).

  14. Y. W. Li, Y. Li, T. Cui, L. J. Zhang, Y. M. Ma†, and G. T. Zou, "The pressure-induced phase transition in SnO: a first-principles study", J. Phys.: Condens. Matter 19, 425230 (2007).

  15. Y. Li, L. J. Zhang, T. Cui, Y. W. Li, Y. M. Ma†, Z. He, and G. T. Zou†, "First-principles studies of phonon softening in rocksalt AgF under pressure", J. Phys.: Condens. Matter 19, 425217 (2007).

  16. Y. H. Liu, Y. M. Ma, Z. He, T. Cui†, B. B. Liu, and G. T. Zou, "Phase transition and optical properties of CaCl2 under high pressure by ab initio pseudopotential plane-wave calculations", J. Phys.: Condens. Matter 19, 425225 (2007).

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

  18. 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.

  19. Lijun Zhang†, Yingli Niu, Quan Li, Tian Cui, Yi Wang, Yanming Ma†, Zhi He, and Guangtian Zou, "Ab initio prediction of superconductivity in molecular metallic hydrogen under high pressure", Solid State Commun. 141, 610 (2007).

  20. Yanming Ma and John S. Tse†, "Ab initio determination of crystal lattice constants and thermal expansion for germanium isotopes", Solid State Commun. 143, 161 (2007).

  21. Li Yan, Zhang Lijun, Cui Tian, Liu Yanhui, Yanming Ma†, and Zou Guangtian, "First-principles prediction of high-pressure phase of CaC6", Chin. Phys. Lett. 24, 1668 (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. L. H. Shen, X. F. Li, Y. M. Ma, K. F. Yang, W. W. Lei, Q. L. Cui†, and G. T. Zou, "Pressure-induced structural transition in AlN nanowires", Appl. Phys. Lett. 89, 141903 (2006).

  8. 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).

  9. 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†, Rajeev Ahuja, "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, G. T. Zou, "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 , G. Zou, "Structural phase transition at high temperatures in solid molecular hydrogen and deuterium", Phys. Rev. B 64, 024108 (2001).

  8. T Cui, Y Ma, and G Zou, "Crystal structure of solid molecular hydrogen under high pressures", J. Phys.: Condens. Matt. 14, 10901 (2002).