Publications (41)
Magnetism in Na-filled Fe-based skutterudites
Guangzong Xing, Xiaofeng Fan, Weitao Zheng +3
Constructing optimal local pseudopotentials from first principles
Wenhui Mi, Shoutao Zhang, Yanming Ma +1
Ab initio investigation of optical properties of high-pressure phases of ice
Renjun Xu, Zhiming Liu, Yanming Ma +3
Metallic Icosahedron Phase of Sodium at Terapascal Pressures
Yinwei Li, Yanchao Wang, Chris J. Pickard +3
Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor
Ion Errea, Matteo Calandra, Chris J . Pickard +7
Proton Transfer in Phase IV of Solid Hydrogen and Deuterium
Hanyu Liu, Yanming Ma
Spiral Chain O4 Form of Dense Oxygen
Li Zhu, Ziwei Wang, Yanchao Wang +3
Inverse Design of Inorganic Electrides
Yunwei Zhang, Hui Wang, Yanchao Wang +2
Stable Xenon Nitride at High Pressures
Feng Peng, Yanchao Wang, Hui Wang +2
New high-pressure form of boron is significantly ionic
Artem R. Oganov, Jiuhua Chen, Carlo Gatti +7
Density functional study of elastic and vibrational properties of the Heusler-type alloys Fe$_2$VAl and Fe$_2$VGa
V. Kanchana, G. Vaitheeswaran, Yanming Ma +3
Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity
Yuwei Li, David J. Singh, Mao-Hua Du +4
High pressures make Hg a transition metal in a thermodynamically stable solid
Xiaoli Wang, Haiqing Lin, Yanming Ma +1
Ab initio investigation of hydrogen bonding and electronic structure of high-pressure phases of ice
Renjun Xu, Zhiming Liu, Yanming Ma +3
Tellurium Hydrides at High Pressures: High-temperature Superconductors
Xin Zhong, Hui Wang, Jurong Zhang +6
Prediction of Silicon-Based Layered Structures for Optoelectronic Applications
Wei Luo, Yanming Ma, Xingao Gong +1
Crystal Structure Prediction via Particle Swarm Optimization
Yanchao Wang, Jian Lv, Li Zhu +1
Room-Temperature Structures of Solid Hydrogen at High Pressures
Hanyu Liu, Li Zhu, Wenwen Cui +1
Dissociation products and structures of solid H2S at strong compression
Yinwei Li, Lin Wang, Hanyu Liu +11
Tuning Optical Properties of Transparent Conducting Barium Stannate by Dimensional Reduction
Yuwei Li, Lijun Zhang, Yanming Ma +1
Ionic high-pressure form of elemental boron
Artem R. Oganov, Jiuhua Chen, Carlo Gatti +7
Anomalous melting behavior of solid hydrogen at high pressures
Hanyu Liu, E. R. Hernandez, Jun Yan +1
Construction of crystal structure prototype database: methods and applications
Chuanxun Su, Jian Lv, Quan Li +4
A linear scaling method to evaluate the ion-electron potential of crystalline solids
Xuecheng Shao, Wenhui Mi, Qiang Xu +2
Accelerating CALYPSO Structure Prediction by Data-driven Learning of Potential Energy Surface
Qunchao Tong, Lantian Xue, Jian Lv +2
Robust Diffusive Proton Motions in Phase IV of Solid Hydrogen
Hanyu Liu, John Tse, Yanming Ma
ATLAS: A Real-Space Finite-Difference Implementation of Orbital-Free Density Functional Theory
Wenhui Mi, Xuecheng Shao, Chuanxun Su +8
Diamondoid Structure of Polymeric Nitrogen at High Pressures
Xiaoli Wang, Yanchao Wang, Maosheng Miao +6
Ultrahigh Pressure Superconductivity in Molybdenum Disulfide
Zhenhua Chi, Feihsiang Yen, Feng Peng +9
Quasi-molecular and atomic phases of dense solid hydrogen
Hanyu Liu, Hui Wang, Yanming Ma
Hybrid Functional Study Rationalizes the Simple Cubic Phase of Calcium at High Pressures
Hanyu Liu, Wenwen Cui, Yanming Ma
Superconductive "sodalite"-like clathrate calcium hydride at high pressures
Hui Wang, John S. Tse, Kaori Tanaka +2
Xenon Reacts with Iron at the Conditions of the Earth's Core
Li Zhu, Hanyu Liu, Chris J. Pickard +2
High-pressure hybrid materials that can store hydrogen in table salt
Feng Peng, Yanming Ma, Maosheng Miao
Quantum Hydrogen-Bond Symmetrization and High-Temperature Superconductivity in Hydrogen Sulfide
Ion Errea, Matteo Calandra, Chris J. Pickard +7
The metallization and superconductivity of dense hydrogen sulfide
Yinwei Li, Jian Hao, Yanling Li +1
Sn(II)-containing phosphates as optoelectronic materials
Qiaoling Xu, Yuwei Li, Lijun Zhang +3
Predicting Two-Dimensional Boron-Carbon Compounds by the Global Optimization Method
Xinyu Luo, Jihui Yang, Hanyu Liu +6
High-pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides
Yuhao Fu, Xiangpo Du, Lijun Zhang +7
CALYPSO: a method for crystal structure prediction
Yanchao Wang, Jian Lv, Li Zhu +1
Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides
Shoutao Zhang, Yanchao Wang, Jurong Zhang +6