Figure 5 | Scientific Reports

Figure 5

From: Accelerated mapping of electronic density of states patterns of metallic nanoparticles via machine-learning

Figure 5

PCA-CGCNN performance on Au@Pt bimetallic NPs. (a) The DOS pattern similarity (R2 and MAE) of our PCA-CGCNN model compared to DFT methods. Here, bimetallic Au@Pt NPs are considered. Bars indicate R2 value and blue squares indicate MAE. (b,c) Comparison of DOS patterns for Au6@Pt38 (b) and Au32@Pt76 (c) NPs predicted by the DFT method (yellow) and the PCA-CGCNN model (blue = total learning and red = separate learning).

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