Training Machine-Learned Density Functionals on Band Gaps
收藏Zenodo2024-08-23 更新2026-05-26 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.13334273
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资源简介：
This dataset contains atomic structures and molecular orbitals (computed with DFT using the PBE functional) for the systems studied in the paper "Training Machine-Learned Density Functionals on Band Gaps." The CiderPress code can be used to analyze the data.
Please see the README.md file for more details on the dataset, and refer to the original paper for details on methodology and funding acknowledgments.
提供机构：
Zenodo
创建时间：
2024-08-17
