A machine learning approach to predict tight-binding parameters for point defects via the projected density of states

Name: A machine learning approach to predict tight-binding parameters for point defects via the projected density of states
Creator: University of Luxembourg
Published: 2025-05-07T00:00:00+08:00

Zenodo2025-05-07 更新2026-04-07 收录

点缺陷参数预测

材料缺陷建模

数据链接：

https://zenodo.org/doi/10.5281/zenodo.15359254 数据链接链接失效反馈

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资源简介：

This dataset contains the data for the article "A machine learning approach to predict tight-binding parameters for point defects via the projected density of states". It includes VASP input and output files and the data for the plots (DFT and TB).

提供机构：

University of Luxembourg

创建时间：

2025-05-07