silica-water dataset with potentials
收藏DataCite Commons2024-02-26 更新2025-04-15 收录
下载链接：
https://www.materialsdatafacility.org/detail/silica_water_v1.1
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资源简介：
The data set of 220K molecule geometries of silica-water-sodium stoichiometries with their energies and forces. The Neural network potentials trained on this data set are also available. If you use these please cite https://arxiv.org/abs/2307.01705
提供机构：
Materials Data Facility
创建时间：
2023-07-17
