IRN<SUB>4</SUB>AND IRN<SUB>7</SUB>AS POTENTIAL HIGH-ENERGY-DENSITY MATERIALS Article Du X., Wang J., Yang Q., Yang G., Yao Y. The Journal of Chemical Physics. Vol. 154. 2021. 054706 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.
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.
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.
FIRST-PRINCIPLES INVESTIGATION OF RHODIUM HYDRIDES UNDER HIGH PRESSURE Article Shao Z., Duan D., Wang L., Song H., Yu H., Cui T., Yao Y. Physical Review B. Vol. 104. 2021. 054110 p.
SYNTHESIS OF SUPERCONDUCTING SBS AND SB S2 ANTIMONY CHALCOGENIDE COMPOUNDS AT HIGH PRESSURES Article Zhang W., Tian F., Huang X., Xie H., Duan D., Cui T., Yao Y., Huang Y. Physical Review B. Vol. 103. 2021. 104102 p.
HIGH-PRESSURE STRUCTURAL STUDY OF Α -MN: EXPERIMENTS AND CALCULATIONS Article Magad-Weiss L.K., Stavrou E., Adeleke A.A., Yao Y., Greenberg E., Prakapenka V.B. Physical Review B. Vol. 103. 2021. 014101 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.
SOLID NITROGEN AND NITROGEN-RICH COMPOUNDS AS HIGH-ENERGY-DENSITY MATERIALS Article Yao Y., Adeniyi A.O. Physica Status Solidi (B) Basic Research. 2021.
O-C<SUB>240</SUB>: A NEW SP<SUP>3</SUP>-DOMINATED ALLOTROPE OF CARBON Article Adeleke A.A., Adeniyi A.O., Yao Y., Tang H., Gou H. Journal of Physics Condensed Matter. Vol. 32. 2020. 395401 p.
SUPERCONDUCTING ZIRCONIUM POLYHYDRIDES AT MODERATE PRESSURES Article Xie H., Zhang W., Duan D., Huang X., Huang Y., Song H., Cui T., Pickard C.J., Feng X., Yao Y. Journal of Physical Chemistry Letters. American Chemical Society. Vol. 11. 2020. P. 646-651
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.
HYDROGEN PENTAGRAPHENELIKE STRUCTURE STABILIZED BY HAFNIUM: A HIGH-TEMPERATURE CONVENTIONAL SUPERCONDUCTOR Article Xie H., Duan D., Song H., Zhang Z., Jiang S., Cui T., Yao Y., Feng X., Redfern S.A.T., Pickard C.J., Kresin V.Z. Physical Review Letters. Vol. 125. 2020. 217001 p.
PRESSURE-INDUCED STRUCTURAL TRANSFORMATIONS AND NEW POLYMORPHS IN BIVO<SUB>4</SUB> Article Cheng X., Zhang H., Guan J., Song Y., Jiang L., Wang P., Adeniyi A.O., Yao Y., Su L. Physical Chemistry Chemical Physics. Vol. 22. 2020. P. 10238-10246
FORMATION OF STABLE COMPOUNDS OF POTASSIUM AND IRON UNDER PRESSURE Article Adeleke A.A., Yao Y. Journal of Physical Chemistry A. American Chemical Society. Vol. 124. 2020. P. 4752-4763