IrO2/RuO2 training set and complexions
收藏Figshare2022-02-01 更新2026-04-08 收录
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https://figshare.com/articles/dataset/IrO2_RuO2_training_set_and_complexions/16610488/3
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资源简介：
Bootstrapping training set and final complexions for IrO2 and RuO2 surfaces as applied in respectively obtained from an iterative global optimization.<br>Reference method is Quantum Espresso.Machine Learning done via Gaussian Approximation Potential.For more details, see the respective publication by Jakob Timmermann and Yonghyuk Lee
提供机构：
Timmermann, Jakob; Lee, Yonghyuk
创建时间：
2021-11-03
