Liu H.

THEORY-DIRECTED DISCOVERY OF HIGH-TEMPERATURE SUPERCONDUCTIVITY IN CLATHRATE HYDRIDES AT HIGH PRESSURE

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Innovation. Cell Press. Vol. 3. 2022. 100226 p.

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Physical Review B. Vol. 105. 2022. 094503 p.

MACHINE LEARNING METADYNAMICS SIMULATION OF RECONSTRUCTIVE PHASE TRANSITION

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Physical Review B. Vol. 103. 2021. 054107 p.

POTASSIUM-ACTIVATED ANIONIC COPPER AND COVALENT CU-CU BONDING IN COMPRESSED K-CU COMPOUNDS

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Cao X., Wu L., Wan B., Liu H., Yao Y., Gou H.

The Journal of Chemical Physics. Vol. 154. 2021. 134708 p.

PREDICTION OF A STABLE HELIUM-HYDROGEN COMPOUND: FIRST-PRINCIPLES SIMULATIONS

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Physical Review B. Vol. 104. 2021. 024101 p.

QUANTUM AND CLASSICAL PROTON DIFFUSION IN SUPERCONDUCTING CLATHRATE HYDRIDES

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Wang H., Yao Y., Peng F., Liu H., Hemley R.J.

Physical Review Letters. Vol. 126. 2021. 117002 p.

NEW-PHASE RETENTION IN COLLOIDAL CORE/SHELL NANOCRYSTALS: VIA PRESSURE-MODULATED PHASE ENGINEERING

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Wang Y., Liu H., Wu M., Wang K., Sui Y., Liu Z., Yang X., Zou B., Lu S., Nie Z., Tse J.S.

Chemical Science. Royal Society of Chemistry. Vol. 12. 2021. P. 6580-6587

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Yin K., Gao P., Shao X., Gao B., Liu H., Lv J., Tse J.S., Wang Y., Ma Y.

Npj Computational Materials. Vol. 6. 2020. 16 p.

PRESSURE-INDUCED DECOMPOSITION OF BINARY LANTHANUM INTERMETALLIC COMPOUNDS

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Yang X., Li H., Liu H., Wang H., Xie Y., Yao Y.

Physical Review B. Vol. 101. 2020. 184113 p.

THEORETICAL INVESTIGATION OF THE VALENCE STATES IN AU VIA THE AU-F COMPOUNDS UNDER HIGH PRESSURE

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Liu G., Liu H., Feng X., Redfern S.A.T., Wang L., Gao G., Yong X.

Physical Chemistry Chemical Physics. Vol. 21. 2019. P. 17621-17627

FIRST-PRINCIPLES MOLECULAR DYNAMICS SIMULATIONS OF SINGLE NITROGEN BOND STRUCTURES IN A N 2 –H 2 SYSTEM UNDER PRESSURE

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Zhong X., Liu H., Tse J.S.

Solid State Communications. Vol. 290. 2019. P. 27-30

HARD BN CLATHRATE SUPERCONDUCTORS

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Li X., Liu H., Yong X., Lu S., Wu M., Meng S., Tse J.S., Li Y.

Journal of Physical Chemistry Letters. American Chemical Society. Vol. 10. 2019. P. 2554-2560

SYNTHESIS OF XENON AND IRON-NICKEL INTERMETALLIC COMPOUNDS AT EARTH'S CORE THERMODYNAMIC CONDITIONS

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Stavrou E., Zaug J.M., Yao Y., Goncharov A.F., Lobanov S.S., Liu H., Greenberg E., Prakapenka V.B.

Physical Review Letters. Vol. 120. 2018. 096001 p.

PREDICTION OF STABLE IRON NITRIDES AT AMBIENT AND HIGH PRESSURES WITH PROGRESSIVE FORMATION OF NEW POLYNITROGEN SPECIES

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Wu L., Tian R., Wan B., Gong N., Chen P., Shen T., Gou H., Liu H., Yao Y., Gao F.

Chemistry of Materials. American Chemical Society. Vol. 30. 2018. P. 8476-8485

CRYSTAL STRUCTURES AND ELECTRONIC PROPERTIES OF XE-CL COMPOUNDS AT HIGH PRESSURE

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Zarifi N., Zurek E., Liu H., Tse J.S.

Journal of Physical Chemistry C. Vol. 122. 2018. P. 2941-2950

SINGLE-BONDED ALLOTROPE OF NITROGEN PREDICTED AT HIGH PRESSURE

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Adeleke A.A., Greschner M.J., Majumdar A., Yao Y., Wan B., Gou H., Liu H., Li Z.

Physical Review B. Vol. 96. 2017. 224104 p.

HOW FUNCTIONAL GROUPS CHANGE THE ELECTRONIC STRUCTURE OF GRAPHDIYNE: THEORY AND EXPERIMENT

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Ketabi N., Tolhurst T.M., Leedahl B., Moewes A., Liu H., Li Y.

Carbon. Elsevier Ltd. Vol. 123. 2017. P. 1-6

NOVEL BORON CHANNEL-BASED STRUCTURE OF BORON CARBIDE AT HIGH PRESSURES

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Zhang X., Cheng T., Chen H., Zhao Y., Zhang M., Liu H., Yao Y.

Journal of Physics Condensed Matter. Vol. 29. 2017. 455401 p.

CRYSTAL STRUCTURES OF CAB3N3 AT HIGH PRESSURES

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Zhang M., Chen J., Tse J.S., Guo Y., Zhu L., Liu H., Feng X., Redfern S.A.T.

Inorganic Chemistry. Vol. 56. 2017. P. 7449-7453

ELECTRON-PHONON COUPLING MECHANISMS FOR HYDROGEN-RICH METALS AT HIGH PRESSURE

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Tanaka K., Tse J.S., Liu H.

Physical Review B. Vol. 96. 2017. 100502 p.

A NEW HIGH-PRESSURE POLYMERIC NITROGEN PHASE IN POTASSIUM AZIDE

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Zhang M., Yan H., Wei Q., Liu H.

RSC Advances. Vol. 5. 2015. P. 11825-11830

CRYSTALLINE LIN5 PREDICTED FROM FIRST-PRINCIPLES AS A POSSIBLE HIGH-ENERGY MATERIAL

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Peng F., Yao Y., Liu H., Ma Y.

Journal of Physical Chemistry Letters. American Chemical Society. Vol. 6. 2015. P. 2363-2366

HIGH-ENERGY DENSITY AND SUPERHARD NITROGEN-RICH B-N COMPOUNDS

Article

Li Y., Hao J., Liu H., Lu S., Tse J.S.

Physical Review Letters. Vol. 115. 2015. 105502 p.

HIGH-PRESSURE HYDROGEN SULFIDE FROM FIRST PRINCIPLES: A STRONGLY ANHARMONIC PHONON-MEDIATED SUPERCONDUCTOR

Article

Errea I., Calandra M., Mauri F., Pickard C.J., Nelson J., Needs R.J., Li Y., Liu H., Zhang Y., Ma Y.

Physical Review Letters. Vol. 114. 2015. 157004 p.

STRUCTURES AND STABILITY OF NOVEL TRANSITION-METAL (M = CO, RH, CO AND IR) BORIDES

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Wang Y., Wu L., Zhang Y., Zhang J., Lin Y., Hu Q., Gou H., Mao H.K., Li Z., Gao F., Liu H., Yao Y.

Physical Review B - Condensed Matter and Materials Physics. Vol. 92. 2015. 174106 p.

PRESSURE-STABILIZED SUPERCONDUCTIVE YTTRIUM HYDRIDES

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Li Y., Hao J., Wang Y., Ma Y., Liu H., Tse J.S.

Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 9948 p.

STABLE STRUCTURES OF HE AND H2 O AT HIGH PRESSURE

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Liu H., Yao Y., Klug D.D.

Physical Review B - Condensed Matter and Materials Physics. Vol. 91. 2015. 014102 p.

EXOTIC STABLE CESIUM POLYNITRIDES AT HIGH PRESSURE

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Peng F., Han Y., Liu H., Yao Y.

Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 16902 p.

POLYMERIZATION OF NITROGEN IN AMMONIUM AZIDE AT HIGH PRESSURES

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Yu H., Duan D., Tian F., Li D., Huang X., Liu Y., Liu B., Cui T., Liu H.

Journal of Physical Chemistry C. Vol. 119. 2015. P. 25268-25272

PRESSURE-INDUCED ZIGZAG PHOSPHORUS CHAIN AND SUPERCONDUCTIVITY IN BORON MONOPHOSPHIDE

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Zhang X., Zhang S., Ma M., Liu R., Qin J., Liu H., Luo W., Ahuja R.

Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 8761 p.

AMBIENT-PRESSURE POLYMERIZATION OF CARBON ANIONS IN THE HIGH-PRESSURE PHASE MG2C

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Stefanoski S., Strobel T.A., Liu H., Yao Y.

Inorganic Chemistry. Vol. 54. 2015. P. 10761-10765

PREDICTED TWO-DIMENSIONAL ELECTRIDES: LITHIUM-CARBON MONOLAYER SHEET

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Lu M., Zhang M., Liu H.

Physics Letters, Section A: General, Atomic and Solid State Physics. Vol. 379. 2015. P. 2511-2514

THE ELECTRICAL CONDUCTIVITY OF AL2O3 UNDER SHOCK-COMPRESSION

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Liu H., Tse J.S., Nellis W.J.

Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 12823 p.

MECHANISMS FOR PRESSURE-INDUCED CRYSTAL-CRYSTAL TRANSITION, AMORPHIZATION, AND DEVITRIFICATION OF SNI4

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Liu H., Tse J.S., Hu M.Y., Bi W., Zhao J., Alp E.E., Pasternak M., Taylor R.D., Lashley J.C.

The Journal of Chemical Physics. Vol. 143. 2015. 164508 p.

FIRST-PRINCIPLES STUDY ON THE STRUCTURAL AND ELECTRONIC PROPERTIES OF METALLIC HFH2 UNDER PRESSURE

Article

Liu Y., Huang X., Duan D., Tian F., Li D., Zhao Z., Sha X., Yu H., Zhang H., Liu B., Cui T., Liu H.

Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 11381 p.

HYDROGEN SEGREGATION AND ITS ROLES IN STRUCTURAL STABILITY AND METALLIZATION: SILANE UNDER PRESSURE

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Cui W., Shi J., Wang H., Ma Y., Liu H., Yao Y., Iitaka T.

Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 13039 p.

PREDICTION OF NOVEL CRYSTAL STRUCTURES AND SUPERCONDUCTIVITY OF COMPRESSED HBR

Article

Lu S., Yang B., Wu M., Liu H., Tse J.S.

RSC Advances. Vol. 5. 2015. P. 45812-45816

PREDICTION OF THE XE-HE BINARY PHASE DIAGRAM AT HIGH PRESSURES

Article

Wang Y., Zhang J., Yang G., Liu H.

Chemical Physics Letters. Elsevier. Vol. 640. 2015. P. 115-118

UNRAVELING STABLE VANADIUM TETRABORIDE AND TRIBORIDE BY FIRST-PRINCIPLES COMPUTATIONS

Article

Wu L., Wan B., Zhao Y., Zhang Y., Wang Y., Zhang J., Gou H., Liu H.

Journal of Physical Chemistry C. Vol. 119. 2015. P. 21649-21657

CRYSTAL STRUCTURES AND CHEMICAL BONDING OF MAGNESIUM CARBIDE AT HIGH PRESSURE

Article

Liu H., Li Y., Tse J.S., Gao G., Hao J.

Journal of Physical Chemistry C. Vol. 119. 2015. P. 23168-23174

HARDNESS OF FEB4: DENSITY FUNCTIONAL THEORY INVESTIGATION

Article

Zhang M., Du Y., Gao L., Lu M., Lu C., Liu H.

The Journal of Chemical Physics. Vol. 140. 2014. 174505 p.

THE METALLIZATION AND SUPERCONDUCTIVITY OF DENSE HYDROGEN SULFIDE

Article

Li Y., Hao J., Liu H., Ma Y.

The Journal of Chemical Physics. Vol. 140. 2014. 174712 p.

METALLIZATION AND SUPERCONDUCTIVITY OF BEH2 UNDER HIGH PRESSURE

Article

Wang Z., Zhu L., Wang H., Ma Y., Yao Y., Liu H., Iitaka T.

The Journal of Chemical Physics. Vol. 140. 2014. 124707 p.

SUPERHARD SP3 CARBON ALLOTROPE: AB INITIO CALCULATIONS

Article

Zhang Z., Zhang M., Liu H.

EPL. Institute of Physics and IOP Publishing Limited. Vol. 108. 2014. 46006 p.

STABILITY OF ROCKSALT PHASE OF ZINC OXIDE UNDER STRONG COMPRESSION: SYNCHROTRON X-RAY DIFFRACTION EXPERIMENTS AND FIRST-PRINCIPLES CALCULATION STUDIES

Article

Liu H., Mao H.-K., Tse J.S.

Journal of Applied Physics. Vol. 100. 2006.

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