IrO2/RuO2 training set and complexions
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Bootstrapping training set and final complexions for IrO2 and RuO2 surfaces as applied in respectively obtained from an iterative global optimization. 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
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2021-09-13
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