Deep Learning Molecular Dynamics for Large-Scale Insights into Yttrium's Structural, Thermal and Diffusion Properties

Li Ma, Haowen Wang, Yongzhi Wu, Keyuan Chen, Haoxiang Zhang, Xingkao Zhang,Ju Rong,Yudong Sui,Xiaohua Yu,Jing Feng

Applied Physics A（2025）

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Deep learning,Potential energy surface,Rare-earth metal Y,First-principles calculations,Molecular dynamics simulations

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