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Training sets for Tracing Ion Migration in Halide Perovskites with Machine Learned Force Fields

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Zenodo2026-05-01 更新2026-05-26 收录
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The machine learning force fields training sets, named ML_AB in VASP, are provided for all force fields used in 'J. Phys. Chem. Lett. 2025, 16 (20), 5153–5159'. These training sets, in combination with the training parameters provided in the publication, can be used for generating the force fields.

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Zenodo
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2026-05-01
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