HOW FUNCTIONAL GROUPS CHANGE THE ELECTRONIC STRUCTURE OF GRAPHDIYNE: THEORY AND EXPERIMENT Article 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 Article 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 CAB<SUB>3</SUB>N<SUB>3</SUB> AT HIGH PRESSURES Article 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
SINGLE-BONDED ALLOTROPE OF NITROGEN PREDICTED AT HIGH PRESSURE Article 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.
ELECTRON-PHONON COUPLING MECHANISMS FOR HYDROGEN-RICH METALS AT HIGH PRESSURE Article Tanaka K., Tse J.S., Liu H. Physical Review B. Vol. 96. 2017. 100502 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
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
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
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
FIRST-PRINCIPLES STUDY ON THE STRUCTURAL AND ELECTRONIC PROPERTIES OF METALLIC HFH<SUB>2</SUB> 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.
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.
PREDICTED TWO-DIMENSIONAL ELECTRIDES: LITHIUM-CARBON MONOLAYER SHEET Article Lu M., Zhang M., Liu H. Physics Letters, Section A: General, Atomic and Solid State Physics. Vol. 379. 2015. P. 2511-2514
MECHANISMS FOR PRESSURE-INDUCED CRYSTAL-CRYSTAL TRANSITION, AMORPHIZATION, AND DEVITRIFICATION OF SNI<SUB>4</SUB> Article 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.
STRUCTURES AND STABILITY OF NOVEL TRANSITION-METAL (M = CO, RH, CO AND IR) BORIDES Article 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.
STABLE STRUCTURES OF HE AND H2 O AT HIGH PRESSURE Article Liu H., Yao Y., Klug D.D. Physical Review B - Condensed Matter and Materials Physics. Vol. 91. 2015. 014102 p.