Prediction of Local Electric Polarization Using Graph Neural Networks
收藏官方服务：
资源简介：
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)
提供机构：
Zenodo创建时间：
2025-01-02
