Prediction of Local Electric Polarization Using Graph Neural Networks
收藏Zenodo2025-01-02 更新2026-05-26 收录
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https://zenodo.org/doi/10.5281/zenodo.14587941
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The dataset used for training the GNN models for BaTiO₃, Si, and PbTiO₃/SrTiO₃ superlattice systems. (*.npz)The trained MLIP model based on Allegro for BaTiO₃, Si, and PbTiO₃/SrTiO₃ superlattice systems. (*_jit.pth)
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Zenodo创建时间：
2025-01-02
