Fig. 5 | npj Computational Materials

Fig. 5

From: Machine learning hydrogen adsorption on nanoclusters through structural descriptors

Fig. 5

Parity plot of predicted against calculated ΔEH/ΔGH together with a histogram of predicted (red) and calculated (black) energy distributions. a The data set of multiple clusters MoS2(multi) was used as a training set and the data set MoS2(single) cluster was used as the displayed test set. b The data set of multiple clusters MoS2(multi) was used as a training set and a data set of local minima on frozen clusters was used as the displayed test set

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