electronic structure calculations
收藏DataCite Commons2025-07-07 更新2025-09-08 收录
下载链接：
https://figshare.com/articles/dataset/electronic_structure_calculations/29484686/1
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资源简介：
The repository is organized to enable full reproducibility of all electronic-structure and machine-learning results presented in the paper of "General reactive element-based machine learning potentials for heterogeneous catalysis"
提供机构：
figshare
创建时间：
2025-07-07
