Hui Wang

发表

CALYPSO Method for Structure Prediction and Its Applications to Materials Discovery

Hui Wang, Yanming Ma, Jian Lv, 2018, Handbook of Materials Modeling.

Construction of crystal structure prototype database: methods and applications

Hui Wang, Yanming Ma, Jian Lv, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Determinations of the high-pressure crystal structures of Sb2Te3

Hui Wang, Jing Liu, P. Zhu, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

Metallization and superconductivity of BeH2 under high pressure.

Hui Wang, Yanming Ma, Li Zhu, 2014, The Journal of chemical physics.

Universal ground state hexagonal phases and mechanical properties of stoichiometric transition metal tetraborides: TMB4 (TM = W, Tc, and Re)

Hui Wang, Haiyan Yan, Q. Wei, 2013 .

Predicted lithium-boron compounds under high pressure.

Hui Wang, Yanming Ma, Feng Peng, 2012, Journal of the American Chemical Society.

Superconductive sodalite-like clathrate calcium hydride at high pressures

Hui Wang, Yanming Ma, Toshiaki Iitaka, 2012, Proceedings of the National Academy of Sciences.

Quasi-Molecular and Atomic Phases of Dense Solid Hydrogen

Yanming Ma, Hui Wang, Hanyu Liu, 2011, 1112.1174.

High pressure partially ionic phase of water ice.

Hui Wang, Yanming Ma, Jian Lv, 2011, Nature communications.

Stable Lithium Argon compounds under high pressure

Jian Lv, Yanchao Wang, Yanming Ma, 2015, Scientific Reports.

Pressure stabilization of long-missing bare C6 hexagonal rings in binary sesquicarbides

Yanchao Wang, Yanming Ma, Hui Wang, 2014 .

Superconductivity of lithium-doped hydrogen under high pressure.

Yu Xie, A. Oganov, Quan Li, 2014, Acta crystallographica. Section C, Structural chemistry.

Pressure-Induced Formation of Noble Metal Hydrides

Yanming Ma, Hui Wang, Li Zhu, 2012 .

Pressure-induced amorphization in mayenite (12CaO·7Al2O3).

Yanchao Wang, Yanming Ma, G. Zou, 2011, The Journal of chemical physics.

High-pressure crystal structures and superconductivity of Stannane (SnH4)

Hui Wang, Yanming Ma, Guangtian Zou, 2010, Proceedings of the National Academy of Sciences.

High pressure polyhydrides of molybdenum: A first-principles study

T. Iitaka, Hui Wang, Ketao Yin, 2016 .

Dissociation of methane under high pressure.

T. Iitaka, Yanming Ma, G. Zou, 2010, The Journal of chemical physics.

High-Pressure Phase Transitions and Structures of Topological Insulator BiTel

Yanchao Wang, Yanming Ma, Hui Wang, 2013 .

The ground-state structure and physical properties of RuC: first-principles calculations

Hui Wang, Haiyan Yan, Meiguang Zhang, 2012 .

Phase transition of cadmium fluoride under high pressure

Yanming Ma, Hui Wang, Yanmei Ma, 2011 .

Predicted Lithium—Boron Compounds under High Pressure.

Yanming Ma, M. Miao, Quan Li, 2013 .

Superconducting TaH5 at high pressure

Hui Wang, Hanyu Liu, Guangtao Liu, 2019, New Journal of Physics.

CALYPSO structure prediction method and its wide application

Quan Li, Hui Wang, Yanchao Wang, 2016 .

Exotic high-pressure behavior of double nitride CuPN2

T. Iitaka, Hui Wang, Dan Xu, 2018, Computational Materials Science.

High-pressure polymorphs of LiPN2: A first-principles study

Hui Wang, Dan Xu, Hong‐Bo Wang, 2018 .

Quasi-Molecular and Atomic Phases of Dense Solid Hydrogen

Yanming Ma, Hui Wang, Hanyu Liu, 2011, 1112.1174.

Computer-Assisted Inverse Design of Inorganic Electrides

Hui Wang, Yanming Ma, Yanchao Wang, 2017 .

Structural and mechanical properties of platinum carbide.

Yanming Ma, Quan Li, Hui Wang, 2014, Inorganic chemistry.

Bonding, structures, and band gap closure of hydrogen at high pressures

J. Tse, Hui Wang, V. Struzhkin, 2012, 1209.3895.

Twofold coordinated ground-state and eightfold high-pressure phases of heavy transition metal nitrides MN(2) (M = Os, Ir, Ru, and Rh).

Yanming Ma, G. Zou, T. Cui, 2009, Inorganic chemistry.

Tetragonal allotrope of group 14 elements.

Hui Wang, Yanming Ma, Zhisheng Zhao, 2012, Journal of the American Chemical Society.

Superhard monoclinic polymorph of carbon.

Hui Wang, Yanming Ma, Ying Xu, 2009, Physical review letters.

Prediction of Host-Guest Na-Fe Intermetallics at High Pressures.

Hui Wang, Yanming Ma, Hanyu Liu, 2016, Inorganic chemistry.

Stable xenon nitride at high pressures

Yanchao Wang, Yanming Ma, Hui Wang, 2015, 1501.03891.

Ultra-incompressible phases of tungsten dinitride predicted from first principles

Yanming Ma, T. Cui, A. Oganov, 2009 .

Mechanical and electronic properties of novel tungsten nitride

Hui Wang, Haiyan Yan, Q. Wei, 2012 .

Structures and Stability of Iron Halides at the Earth’s Mantle and Core Pressures: Implications for the Missing Halogen Paradox

T. Iitaka, J. Tse, Hui Wang, 2018, ACS Earth and Space Chemistry.

Inverse Design of Inorganic Electrides

Yanchao Wang, Yanming Ma, Lijun Zhang, 2016, 1603.04161.

Effects of chamber pressure on current-voltage characteristic of metal-insulator-metal element in heat-treating anodized Ta2O5 film

G. Zou, Hui Wang, Q. Cui, 1999 .

Catenation of carbon in LaC2 predicted under high pressure.

Yanming Ma, Hui Wang, Chuanxun Su, 2016, Physical chemistry chemical physics : PCCP.

En route to high Tc superconductivity via Rb substitution of guest metal atoms in SrB3C3 clathrate

Hui Wang, Hanyu Liu, Xue Li, 2021, 2108.11026.

Materials discovery via CALYPSO methodology

Quan Li, Hui Wang, Yanchao Wang, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Hydrogen‐rich superconductors at high pressures

Yanming Ma, Hui Wang, G. Gao, 2018 .

First-principles study of the magnetic, structural and electronic properties of LiFeAs

Yanming Ma, Hui Wang, Xinxin Zhang, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Exploration on pressure-induced phase transition of cerium mononitride from first-principles calculations

Hui Wang, Haiyan Yan, Q. Wei, 2013 .

Design and synthesis of clathrate LaB8 with superconductivity

Hui Wang, Hanyu Liu, Guochun Yang, 2021, Physical Review B.

Structural Modifications and Mechanical Properties of Molybdenum Borides from First Principles

Hui Wang, Yanming Ma, Tian Cui, 2010 .

High-pressure modulated structures in beryllium chalcogenides

Jian Lv, Yanming Ma, P. Gao, 2019, Physical Review B.

Potentially high-temperature superconductivity in K1−B6: A first-principles prediction

Hui Wang, Cuicui Liu, Xi Zhang, 2018, Physica C: Superconductivity and its Applications.

Thermodynamic ground state of MgB6 predicted from first principles structure search methods.

Hui Wang, B. Gao, Yansun Yao, 2014, The Journal of chemical physics.

Tetragonal high-pressure phase of InI predicted from first principles

Hui Wang, Haiyan Yan, Q. Wei, 2012 .

Stabilization of H3 + in the high pressure crystalline structure of HnCl (n = 2–7)

T. Iitaka, Yanming Ma, J. Tse, 2014, Chemical science.

Substitutional alloy of Bi and Te at high pressure.

Hui Wang, Yanmei Ma, Yanming Ma, 2011, Physical review letters.

Pressure-induced decomposition of binary lanthanum intermetallic compounds

Yu Xie, Hui Wang, Hanyu Liu, 2020 .

Metallic and superconducting gallane under high pressure

Hui Wang, Yanming Ma, Yinwei Li, 2011 .

A Novel Superhard Tetragonal Carbon Mononitride

Hui Wang, Haiyan Yan, Q. Wei, 2014 .

Crystal and electronic structures of superhard B2CN : An ab initio study

Hui Wang, Baojia Wu, Dan Zhou, 2012 .

Superhard and superconducting structures of BC5

Yanming Ma, G. Zou, T. Cui, 2010 .

Quantum structural fluxion in superconducting lanthanum polyhydride

C. Pickard, Hui Wang, Hanyu Liu, 2023, Nature Communications.

Superconductivity in metal intercalated graphite-like boron-carbon-nitrogen

Hui Wang, Hanyu Liu, Guangtao Liu, 2021 .

Compressed sodalite-like MgH6 as a potential high-temperature superconductor

Hui Wang, Hanyu Liu, G. Gao, 2015 .

Tellurium Hydrides at High Pressures: High-Temperature Superconductors.

Yanming Ma, Lijun Zhang, Hui Wang, 2015, Physical review letters.

ATLAS: A real-space finite-difference implementation of orbital-free density functional theory

Quan Li, Hui Wang, Wenhui Mi, 2015, Comput. Phys. Commun..

Oxysulfide Li2BeSO: A potential new material for solid electrolyte predicted from first principles

Hui Wang, B. Gao, Hanyu Liu, 2020 .

Design of Superhard Ternary Compounds under High Pressure: SiC2N4 and Si2CN4

Yanming Ma, T. Cui, Quan Li, 2010 .

Structural and electronic properties of sodium azide at high pressure: A first principles study

Quan Li, Hui Wang, Ketao Yin, 2013 .

Novel high-pressure phase with pseudo-benzene “N6” molecule of LiN3

Zhijian Wu, Hui Wang, Haiyan Yan, 2013 .

Superhard phases of B2O: An isoelectronic compound of diamond ☆

Yanming Ma, Quan Li, Hui Wang, 2011 .

Substrate and band bending effects on monolayer FeSe on SrTiO3(001).

Hui Wang, Meiling Xu, Xianqi Song, 2017, Physical chemistry chemical physics : PCCP.

Structural morphologies of high-pressure polymorphs of strontium hydrides.

T. Iitaka, Yanchao Wang, Yanming Ma, 2015, Physical chemistry chemical physics : PCCP.

Superconducting high-pressure phase of cesium iodide

Yanming Ma, G. Zou, T. Cui, 2009 .

Mechanical properties and superconductivity in two-dimensional B2O under extreme strain.

Dan Sun, Quan Li, Hui Wang, 2019, Physical chemistry chemical physics : PCCP.

Publisher's Note: Computer-Assisted Inverse Design of Inorganic Electrides [Phys. Rev. X 7, 011017 (2017)]

Yanchao Wang, Yanming Ma, Lijun Zhang, 2017 .

First-principles calculations on crystal structure and physical properties of rhenium dicarbide

Hui Wang, Haiyan Yan, Q. Wei, 2012 .

Anatase (101)-like Structural Model Revealed for Metastable Rutile TiO2(011) Surface.

Sen Shao, Jian Lv, Yanchao Wang, 2017, ACS applied materials & interfaces.

Hexagonal high-pressure phase of tantalum mononitride predicted from first principles

Hui Wang, Haiyan Yan, Meiguang Zhang, 2013 .

Hydrogen segregation and its roles in structural stability and metallization: silane under pressure

Hui Wang, Yanming Ma, Toshiaki Iitaka, 2015, Scientific Reports.

Materials discovery via CALYPSO methodology

Jian Lv, Yanchao Wang, Yanming Ma, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Ultra-incompressible Orthorhombic Phase of Osmium Tetraboride (OsB4) Predicted from First Principles

Hui Wang, Haiyan Yan, Meiguang Zhang, 2012 .

Superconductive sodalite-like clathrate calcium hydride at high pressures

T. Iitaka, Yanming Ma, J. Tse, 2012, Proceedings of the National Academy of Sciences.

Pressure-induced phase transition and mechanical properties of molybdenum diboride: First principles calculations

Hui Wang, Haiyan Yan, Q. Wei, 2012 .

Two-dimensional silicon monolayers generated on c-BN(111) substrate.

Yanming Ma, Hui Wang, Haiping Wu, 2015, Physical chemistry chemical physics : PCCP.

High-pressure polymorphs of Li2BeH4 predicted by first-principles calculations

Yanchao Wang, Yanming Ma, Quan Li, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

A reconstructed anatase (001)-1 × 4 surface and its reactivity.

Hui Wang, Meiling Xu, Sheng Wang, 2017, Physical chemistry chemical physics : PCCP.

Determinations of the high-pressure crystal structures of Sb2Te3

Hui Wang, P. Zhu, Q. Cui, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.