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Journal of Molecular Modeling|March 25, 2023
Structural, elastic, electronic, and optical properties of NaAlSi<sub>3</sub>O<sub>8</sub> and Al<sub>4</sub>[Si<sub>4</sub>O<sub>10</sub>](OH)<sub>8</sub> from first-principles calculationsYa-Le Tao, Juan Gao, Qi-Jun Liu, et al.Journal of Molecular Modeling|August 29, 2024
First-principles study of the structure, electronic and optical properties of monolayer ZrX<sub>3</sub> (X = S, Se, Te)Zhi-Yuan Qiu, Ya-Le Tao, Qi-Jun Liu, et al.Physical Chemistry Chemical Physics : PCCP|September 26, 2025
Superconductivity of ternary XBeH<sub>8</sub> hydrides (X = La, Ba, Pr, and Ac) under high pressureYing-Xi Luo, Ya-Le Tao, Dai-He Fan, et al.Iscience|August 26, 2024
Emerging superconductivity rules in rare-earth and alkaline-earth metal hydridesYa-Le Tao, Qi-Jun Liu, Dai-He Fan, et al.Physical Chemistry Chemical Physics : PCCP|September 23, 2023
Composition and structural characteristics of compressed alkaline earth metal hydridesYa-Le Tao, Wei Zeng, Juan Gao, et al.Physical Chemistry Chemical Physics : PCCP|October 21, 2024
Compressed Sr superconducting transition temperature up to 17.65 KYa-Le Tao, Qi-Jun Liu, Dai-He Fan, et al.Journal of Molecular Modeling|April 16, 2024
Structural, elastic, mechanical, electronic, and optical properties of cubic K<sub>2</sub>Pb<sub>2</sub>O<sub>3</sub> from first-principle studyQiao-Yan Cheng, Ya-Le Tao, Dai-He Fan, et al.Pageof 1