PATH TO HIGH- T C SUPERCONDUCTIVITY VIA RB SUBSTITUTION OF GUEST METAL ATOMS IN THE SR B3 C3 CLATHRATE Article Zhang P., Li X., Yang X., Liu H., Wang H., Yao Y. Physical Review B. Vol. 105. 2022. 094503 p.
THEORY-DIRECTED DISCOVERY OF HIGH-TEMPERATURE SUPERCONDUCTIVITY IN CLATHRATE HYDRIDES AT HIGH PRESSURE Article Zhong X., Tse J.S., Liu H., Hemley R.J. Innovation. Cell Press. Vol. 3. 2022. 100226 p.
POTASSIUM-ACTIVATED ANIONIC COPPER AND COVALENT CU-CU BONDING IN COMPRESSED K-CU COMPOUNDS Article 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 Article Adeniyi A.O., Adeleke A.A., Yao Y., Li X., Liu H. Physical Review B. Vol. 104. 2021. 024101 p.
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.
NEW-PHASE RETENTION IN COLLOIDAL CORE/SHELL NANOCRYSTALS: VIA PRESSURE-MODULATED PHASE ENGINEERING Article 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
QUANTUM AND CLASSICAL PROTON DIFFUSION IN SUPERCONDUCTING CLATHRATE HYDRIDES Article Wang H., Yao Y., Peng F., Liu H., Hemley R.J. Physical Review Letters. Vol. 126. 2021. 117002 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
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
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
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
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