A combined DFT and machine learning to predict the bond lengths in rare earth-doped inorganic crystals
|更新时间:2025-11-04
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A combined DFT and machine learning to predict the bond lengths in rare earth-doped inorganic crystals
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“In the field of inorganic crystal materials, experts have combined first principles calculations and machine learning to achieve accurate prediction of local structure bond lengths of rare earth ions, providing an important approach for the structural and performance design of rare earth doped inorganic crystal materials.”
National Natural Science Foundation of China(62475104);Chinese Academy of Sciences (CAS) Stable Support Project for Basic Research Youth Teams(YSBR-024);Jinan University Fundamental Research Funds for the Central Universities(21624407);Open Fund of the Guangdong Provincial Key Laboratory of Rare Earth Development and Application(XTKY-202402);Bingrong Chen and Fengting He have made the same contribution
Chen Bingrong,He Fengting,Yu Puy Mang Tam,et al.A combined DFT and machine learning to predict the bond lengths in rare earth-doped inorganic crystals[J].Chinese Journal of Luminescence,
Chen Bingrong,He Fengting,Yu Puy Mang Tam,et al.A combined DFT and machine learning to predict the bond lengths in rare earth-doped inorganic crystals[J].Chinese Journal of Luminescence,DOI:10.37188/CJL.20250215 CSTR: 32170.14.CJL.20250215.
A combined DFT and machine learning to predict the bond lengths in rare earth-doped inorganic crystals增强出版