PATH TO HIGH- T C SUPERCONDUCTIVITY VIA RB SUBSTITUTION OF GUEST METAL ATOMS IN THE SR B3 C3 CLATHRATE СтатьяZhang P., Li X., Yang X., Liu H., Wang H., Yao Y.Physical Review B. Том 105. 2022. 094503 с.
GENERALISTS AND SPECIALISTS DECOMPOSING LABILE AND AROMATIC BIOCHAR COMPOUNDS AND SEQUESTERING CARBON IN SOIL СтатьяLiu H., Wang X., Song X., Leng P., Li J., Mazza Rodrigues J.L., Hong Z., Kuzyakov Y., Xu J., Dai Z.Geoderma. Том 428. 2022.
THEORY-DIRECTED DISCOVERY OF HIGH-TEMPERATURE SUPERCONDUCTIVITY IN CLATHRATE HYDRIDES AT HIGH PRESSURE СтатьяZhong X., Tse J.S., Liu H., Hemley R.J.Innovation. Том 3. 2022. 100226 с.
POTASSIUM-ACTIVATED ANIONIC COPPER AND COVALENT CU-CU BONDING IN COMPRESSED K-CU COMPOUNDS СтатьяCao X., Wu L., Wan B., Liu H., Yao Y., Gou H.The Journal of Chemical Physics. Том 154. 2021. 134708 с.
NEW-PHASE RETENTION IN COLLOIDAL CORE/SHELL NANOCRYSTALS: VIA PRESSURE-MODULATED PHASE ENGINEERING СтатьяWang Y., Liu H., Wu M., Wang K., Sui Y., Liu Z., Yang X., Zou B., Lu S., Nie Z., Tse J.S.Chemical Science. Том 12. 2021. С. 6580-6587
PREDICTION OF A STABLE HELIUM-HYDROGEN COMPOUND: FIRST-PRINCIPLES SIMULATIONS СтатьяAdeniyi A.O., Adeleke A.A., Yao Y., Li X., Liu H.Physical Review B. Том 104. 2021. 024101 с.
MACHINE LEARNING METADYNAMICS SIMULATION OF RECONSTRUCTIVE PHASE TRANSITION СтатьяTong Q., Luo X., Gao P., Xie Y., Liu H., Li Q., Wang Y., Lv J., Ma Y., Adeleke A.A., Yao Y.Physical Review B. Том 103. 2021. 054107 с.
QUANTUM AND CLASSICAL PROTON DIFFUSION IN SUPERCONDUCTING CLATHRATE HYDRIDES СтатьяWang H., Yao Y., Peng F., Liu H., Hemley R.J.Physical Review Letters. Том 126. 2021. 117002 с.
PRESSURE-INDUCED DECOMPOSITION OF BINARY LANTHANUM INTERMETALLIC COMPOUNDS СтатьяYang X., Li H., Liu H., Wang H., Xie Y., Yao Y.Physical Review B. Том 101. 2020. 184113 с.
AN AUTOMATED PREDICTOR FOR IDENTIFYING TRANSITION STATES IN SOLIDS СтатьяYin K., Gao P., Shao X., Gao B., Liu H., Lv J., Tse J.S., Wang Y., Ma Y.Npj Computational Materials. Том 6. 2020. 16 с.
FIRST-PRINCIPLES MOLECULAR DYNAMICS SIMULATIONS OF SINGLE NITROGEN BOND STRUCTURES IN A N <SUB>2</SUB> –H <SUB>2</SUB> SYSTEM UNDER PRESSURE СтатьяZhong X., Liu H., Tse J.S.Solid State Communications. Том 290. 2019. С. 27-30
THEORETICAL INVESTIGATION OF THE VALENCE STATES IN AU VIA THE AU-F COMPOUNDS UNDER HIGH PRESSURE СтатьяLiu G., Liu H., Feng X., Redfern S.A.T., Wang L., Gao G., Yong X.Physical Chemistry Chemical Physics. Том 21. 2019. С. 17621-17627
HARD BN CLATHRATE SUPERCONDUCTORS СтатьяLi X., Liu H., Yong X., Lu S., Wu M., Meng S., Tse J.S., Li Y.Journal of Physical Chemistry Letters. Том 10. 2019. С. 2554-2560
SYNTHESIS OF XENON AND IRON-NICKEL INTERMETALLIC COMPOUNDS AT EARTH'S CORE THERMODYNAMIC CONDITIONS СтатьяStavrou E., Zaug J.M., Yao Y., Goncharov A.F., Lobanov S.S., Liu H., Greenberg E., Prakapenka V.B.Physical Review Letters. Том 120. 2018. 096001 с.
CRYSTAL STRUCTURES AND ELECTRONIC PROPERTIES OF XE-CL COMPOUNDS AT HIGH PRESSURE СтатьяZarifi N., Zurek E., Liu H., Tse J.S.Журнал физической химии С. Том 122. 2018. С. 2941-2950
PREDICTION OF STABLE IRON NITRIDES AT AMBIENT AND HIGH PRESSURES WITH PROGRESSIVE FORMATION OF NEW POLYNITROGEN SPECIES СтатьяWu L., Tian R., Wan B., Gong N., Chen P., Shen T., Gou H., Liu H., Yao Y., Gao F.Chemistry of Materials. Том 30. 2018. С. 8476-8485
HOW FUNCTIONAL GROUPS CHANGE THE ELECTRONIC STRUCTURE OF GRAPHDIYNE: THEORY AND EXPERIMENT СтатьяKetabi N., Tolhurst T.M., Leedahl B., Moewes A., Liu H., Li Y.Carbon. Том 123. 2017. С. 1-6
NOVEL BORON CHANNEL-BASED STRUCTURE OF BORON CARBIDE AT HIGH PRESSURES СтатьяZhang X., Cheng T., Chen H., Zhao Y., Zhang M., Liu H., Yao Y.Journal of Physics Condensed Matter. Том 29. 2017. 455401 с.
ELECTRON-PHONON COUPLING MECHANISMS FOR HYDROGEN-RICH METALS AT HIGH PRESSURE СтатьяTanaka K., Tse J.S., Liu H.Physical Review B. Том 96. 2017. 100502 с.
SINGLE-BONDED ALLOTROPE OF NITROGEN PREDICTED AT HIGH PRESSURE СтатьяAdeleke A.A., Greschner M.J., Majumdar A., Yao Y., Wan B., Gou H., Liu H., Li Z.Physical Review B. Том 96. 2017. 224104 с.
CRYSTAL STRUCTURES OF CAB<SUB>3</SUB>N<SUB>3</SUB> AT HIGH PRESSURES СтатьяZhang M., Chen J., Tse J.S., Guo Y., Zhu L., Liu H., Feng X., Redfern S.A.T.Inorganic Chemistry. Том 56. 2017. С. 7449-7453
PREDICTION OF THE XE-HE BINARY PHASE DIAGRAM AT HIGH PRESSURES СтатьяWang Y., Zhang J., Yang G., Liu H.Chemical Physics Letters. Том 640. 2015. С. 115-118
STRUCTURES AND STABILITY OF NOVEL TRANSITION-METAL (M = CO, RH, CO AND IR) BORIDES СтатьяWang 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. Том 92. 2015. 174106 с.
MECHANISMS FOR PRESSURE-INDUCED CRYSTAL-CRYSTAL TRANSITION, AMORPHIZATION, AND DEVITRIFICATION OF SNI<SUB>4</SUB> СтатьяLiu 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. Том 143. 2015. 164508 с.
AMBIENT-PRESSURE POLYMERIZATION OF CARBON ANIONS IN THE HIGH-PRESSURE PHASE MG<SUB>2</SUB>C СтатьяStefanoski S., Strobel T.A., Liu H., Yao Y.Inorganic Chemistry. Том 54. 2015. С. 10761-10765
HYDROGEN SEGREGATION AND ITS ROLES IN STRUCTURAL STABILITY AND METALLIZATION: SILANE UNDER PRESSURE СтатьяCui W., Shi J., Wang H., Ma Y., Liu H., Yao Y., Iitaka T.Scientific Reports. Том 5. 2015. 13039 с.
THE ELECTRICAL CONDUCTIVITY OF AL<SUB>2</SUB>O<SUB>3</SUB> UNDER SHOCK-COMPRESSION СтатьяLiu H., Tse J.S., Nellis W.J.Scientific Reports. Том 5. 2015. 12823 с.
CRYSTAL STRUCTURES AND CHEMICAL BONDING OF MAGNESIUM CARBIDE AT HIGH PRESSURE СтатьяLiu H., Li Y., Tse J.S., Gao G., Hao J.Журнал физической химии С. Том 119. 2015. С. 23168-23174
POLYMERIZATION OF NITROGEN IN AMMONIUM AZIDE AT HIGH PRESSURES СтатьяYu H., Duan D., Tian F., Li D., Huang X., Liu Y., Liu B., Cui T., Liu H.Журнал физической химии С. Том 119. 2015. С. 25268-25272
HIGH-PRESSURE HYDROGEN SULFIDE FROM FIRST PRINCIPLES: A STRONGLY ANHARMONIC PHONON-MEDIATED SUPERCONDUCTOR СтатьяErrea I., Calandra M., Mauri F., Pickard C.J., Nelson J., Needs R.J., Li Y., Liu H., Zhang Y., Ma Y.Physical Review Letters. Том 114. 2015. 157004 с.
FIRST-PRINCIPLES STUDY ON THE STRUCTURAL AND ELECTRONIC PROPERTIES OF METALLIC HFH<SUB>2</SUB> UNDER PRESSURE СтатьяLiu 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. Том 5. 2015. 11381 с.
CRYSTALLINE LIN<SUB>5</SUB> PREDICTED FROM FIRST-PRINCIPLES AS A POSSIBLE HIGH-ENERGY MATERIAL СтатьяPeng F., Yao Y., Liu H., Ma Y.Journal of Physical Chemistry Letters. Том 6. 2015. С. 2363-2366
PREDICTED TWO-DIMENSIONAL ELECTRIDES: LITHIUM-CARBON MONOLAYER SHEET СтатьяLu M., Zhang M., Liu H.Physics Letters, Section A: General, Atomic and Solid State Physics. Том 379. 2015. С. 2511-2514
PRESSURE-INDUCED ZIGZAG PHOSPHORUS CHAIN AND SUPERCONDUCTIVITY IN BORON MONOPHOSPHIDE СтатьяZhang X., Zhang S., Ma M., Liu R., Qin J., Liu H., Luo W., Ahuja R.Scientific Reports. Том 5. 2015. 8761 с.
HIGH-ENERGY DENSITY AND SUPERHARD NITROGEN-RICH B-N COMPOUNDS СтатьяLi Y., Hao J., Liu H., Lu S., Tse J.S.Physical Review Letters. Том 115. 2015. 105502 с.
STABLE STRUCTURES OF HE AND H2 O AT HIGH PRESSURE СтатьяLiu H., Yao Y., Klug D.D.Physical Review B - Condensed Matter and Materials Physics. Том 91. 2015. 014102 с.
PREDICTION OF NOVEL CRYSTAL STRUCTURES AND SUPERCONDUCTIVITY OF COMPRESSED HBR СтатьяLu S., Yang B., Wu M., Liu H., Tse J.S.RSC Advances. Том 5. 2015. С. 45812-45816
PRESSURE-STABILIZED SUPERCONDUCTIVE YTTRIUM HYDRIDES СтатьяLi Y., Hao J., Wang Y., Ma Y., Liu H., Tse J.S.Scientific Reports. Том 5. 2015. 9948 с.
UNRAVELING STABLE VANADIUM TETRABORIDE AND TRIBORIDE BY FIRST-PRINCIPLES COMPUTATIONS СтатьяWu L., Wan B., Zhao Y., Zhang Y., Wang Y., Zhang J., Gou H., Liu H.Журнал физической химии С. Том 119. 2015. С. 21649-21657
A NEW HIGH-PRESSURE POLYMERIC NITROGEN PHASE IN POTASSIUM AZIDE СтатьяZhang M., Yan H., Wei Q., Liu H.RSC Advances. Том 5. 2015. С. 11825-11830
EXOTIC STABLE CESIUM POLYNITRIDES AT HIGH PRESSURE СтатьяPeng F., Han Y., Liu H., Yao Y.Scientific Reports. Том 5. 2015. 16902 с.
HARDNESS OF FEB<SUB>4</SUB>: DENSITY FUNCTIONAL THEORY INVESTIGATION СтатьяZhang M., Du Y., Gao L., Lu M., Lu C., Liu H.The Journal of Chemical Physics. Том 140. 2014. 174505 с.
SUPERHARD SP<SUP>3</SUP> CARBON ALLOTROPE: AB INITIO CALCULATIONS СтатьяZhang Z., Zhang M., Liu H.EPL. Том 108. 2014. 46006 с.
THE METALLIZATION AND SUPERCONDUCTIVITY OF DENSE HYDROGEN SULFIDE СтатьяLi Y., Hao J., Liu H., Ma Y.The Journal of Chemical Physics. Том 140. 2014. 174712 с.
METALLIZATION AND SUPERCONDUCTIVITY OF BEH<SUB>2</SUB> UNDER HIGH PRESSURE СтатьяWang Z., Zhu L., Wang H., Ma Y., Yao Y., Liu H., Iitaka T.The Journal of Chemical Physics. Том 140. 2014. 124707 с.
STABILITY OF ROCKSALT PHASE OF ZINC OXIDE UNDER STRONG COMPRESSION: SYNCHROTRON X-RAY DIFFRACTION EXPERIMENTS AND FIRST-PRINCIPLES CALCULATION STUDIES СтатьяLiu H., Mao H.-K., Tse J.S.Journal of Applied Physics. Том 100. 2006.