PATH TO HIGH- T C SUPERCONDUCTIVITY VIA RB SUBSTITUTION OF GUEST METAL ATOMS IN THE SR B3 C3 CLATHRATE Статья Zhang P., Li X., Yang X., Liu H., Wang H., Yao Y. Physical Review B. Том 105. 2022. 094503 с.
ELUCIDATING THE REACTION PATHWAY OF CRYSTALLINE MULTI-METAL BORIDES FOR HIGHLY EFFICIENT OXYGEN-EVOLVING ELECTROCATALYSTS Статья Zhao S., Peng W., Gao B., Gou H., Xu S., Tian R., Wu L., Yao J., Chen N., Gong Y., Zhang X., Hao X., Gao F., Zhang L., Pei C., Qi Y., Wan B., Ahuja R., Yao Y. Journal of Materials Chemistry A. Royal Society of Chemistry. Том 10. 2022. С. 1569-1578
DESIGN PRINCIPLES FOR HIGH-TEMPERATURE SUPERCONDUCTORS WITH A HYDROGEN-BASED ALLOY BACKBONE AT MODERATE PRESSURE Статья Zhang Z., Cui T., Song H., Du M., Duan D., Hutcheon M.J., Shipley A.M., Kresin V.Z., Pickard C.J., Yao Y. Physical Review Letters. Том 128. 2022. 047001 с.
DIRAC NODAL-LINE SEMIMETAL ZINC POLYNITRIDE AT HIGH PRESSURE Статья Zhang Y., Huang X., Zhang Z., Tian F., Chen W., Chen S., Jiang S., Duan D., Cui T., Yao Y. Physical Review B. Том 105. 2022. 125120 с.
STRUCTURAL DIVERSITY AND UNUSUAL VALENCE STATES IN COMPRESSED NA-HG SYSTEM Статья Cao X., Wu L., Gou H., Wang C., Wan B., Li Z., Yao Y. Computational Materials Science. Elsevier Science Publishing Company, Inc.. Том 211. 2022. 111561 с.
HIGH-PRESSURE STRUCTURAL STUDY OF Α -MN: EXPERIMENTS AND CALCULATIONS Статья Magad-Weiss L.K., Stavrou E., Adeleke A.A., Yao Y., Greenberg E., Prakapenka V.B. Physical Review B. Том 103. 2021. 014101 с.
POTASSIUM-ACTIVATED ANIONIC COPPER AND COVALENT CU-CU BONDING IN COMPRESSED K-CU COMPOUNDS Статья Cao X., Wu L., Wan B., Liu H., Yao Y., Gou H. The Journal of Chemical Physics. Том 154. 2021. 134708 с.
FIRST-PRINCIPLES INVESTIGATION OF RHODIUM HYDRIDES UNDER HIGH PRESSURE Статья Shao Z., Duan D., Wang L., Song H., Yu H., Cui T., Yao Y. Physical Review B. Том 104. 2021. 054110 с.
QUANTUM AND CLASSICAL PROTON DIFFUSION IN SUPERCONDUCTING CLATHRATE HYDRIDES Статья Wang H., Yao Y., Peng F., Liu H., Hemley R.J. Physical Review Letters. Том 126. 2021. 117002 с.
SYNTHESIS OF SUPERCONDUCTING SBS AND SB S2 ANTIMONY CHALCOGENIDE COMPOUNDS AT HIGH PRESSURES Статья Zhang W., Tian F., Huang X., Xie H., Duan D., Cui T., Yao Y., Huang Y. Physical Review B. Том 103. 2021. 104102 с.
IRN<SUB>4</SUB>AND IRN<SUB>7</SUB>AS POTENTIAL HIGH-ENERGY-DENSITY MATERIALS Статья Du X., Wang J., Yang Q., Yang G., Yao Y. The Journal of Chemical Physics. Том 154. 2021. 054706 с.
PREDICTION OF A STABLE HELIUM-HYDROGEN COMPOUND: FIRST-PRINCIPLES SIMULATIONS Статья Adeniyi A.O., Adeleke A.A., Yao Y., Li X., Liu H. Physical Review B. Том 104. 2021. 024101 с.
SOLID NITROGEN AND NITROGEN-RICH COMPOUNDS AS HIGH-ENERGY-DENSITY MATERIALS Статья Yao Y., Adeniyi A.O. Physica Status Solidi (B) Basic Research. 2021.
MACHINE LEARNING METADYNAMICS SIMULATION OF RECONSTRUCTIVE PHASE TRANSITION Статья 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. Том 103. 2021. 054107 с.
HYDROGEN PENTAGRAPHENELIKE STRUCTURE STABILIZED BY HAFNIUM: A HIGH-TEMPERATURE CONVENTIONAL SUPERCONDUCTOR Статья 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. Том 125. 2020. 217001 с.