遇见数据集

Training datasets, models, and script for "Phase Stability and Transformations in Lead Mixed Halide Perovskites from Machine Learning Force Fields"

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Zenodo2025-09-11 更新2026-05-26 收录
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The training datasets are generated from VASP on-the-fly MD simulations; the detailed methodology can be found in the associated manuscript. The models are trained with the MACE potential with the script included.

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Zenodo
创建时间:
2025-09-10
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