MACHINE LEARNING METADYNAMICS SIMULATION OF RECONSTRUCTIVE PHASE TRANSITION Article Tong 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. Vol. 103. 2021. 054107 p.
PREDICTION OF A STABLE HELIUM-HYDROGEN COMPOUND: FIRST-PRINCIPLES SIMULATIONS Article Adeniyi A.O., Adeleke A.A., Yao Y., Li X., Liu H. Physical Review B. Vol. 104. 2021. 024101 p.
AN AUTOMATED PREDICTOR FOR IDENTIFYING TRANSITION STATES IN SOLIDS Article 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 Article Yang X., Li H., Liu H., Wang H., Xie Y., Yao Y. Physical Review B. Vol. 101. 2020. 184113 p.
FIRST-PRINCIPLES MOLECULAR DYNAMICS SIMULATIONS OF SINGLE NITROGEN BOND STRUCTURES IN A N <SUB>2</SUB> –H <SUB>2</SUB> SYSTEM UNDER PRESSURE Article Zhong X., Liu H., Tse J.S. Solid State Communications. Vol. 290. 2019. P. 27-30
HARD BN CLATHRATE SUPERCONDUCTORS Article 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
THEORETICAL INVESTIGATION OF THE VALENCE STATES IN AU VIA THE AU-F COMPOUNDS UNDER HIGH PRESSURE Article 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
SYNTHESIS OF XENON AND IRON-NICKEL INTERMETALLIC COMPOUNDS AT EARTH'S CORE THERMODYNAMIC CONDITIONS Article 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 Article 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 Article Zarifi N., Zurek E., Liu H., Tse J.S. Journal of Physical Chemistry C. Vol. 122. 2018. P. 2941-2950
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.
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.
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.
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