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Structural Descriptors Evaluation for MoTa Mechanical Properties Prediction with Machine Learning

Tingpeng Tao,Shu Li, Dechuang Chen,Shuai Li,Dongrong Liu,Xin Liu,Minghua Chen

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING(2024)

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Key words
structure descriptors,machine learning,density functional theory,MoTa,extrapolation,transfer learning
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