Modeling strategies for hydrogen reduction of high-purity metals: From DFT to ReaxFF and machine learning

Zhihe Dou, Bowen Gao, Qidong Zhang, Zhimeng Shao, Zhifang Hu, Honglin Jiang, Yanxi Yin
2025-10-17
SCID:  54.1/zzx6978f
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2025-10-17
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Zhihe Dou
Bowen Gao
Qidong Zhang
Zhimeng Shao
Zhifang Hu
Honglin Jiang
Yanxi Yin
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