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From: Exploring structures of nanoclusters combining high-dimensional neural network potentials with unsupervised machine learning algorithms

Exploring structures of nanoclusters combining high-dimensional neural network potentials with unsupervised machine learning algorithms

Figure 4. Visualization of clustered nanocluster Ce₄O₈ and Ce₁₄O₂₈ at different temperatures via PCA dimensionality reduction, along with the representative structure of the largest cluster. (A and B) Clustered Ce₄O₈ at 1 and 700 K; (C and D) Clustered Ce₁₄O₂₈at 1 and 700 K. Color map: White, Ce atoms; Pink, O atoms; Blue: cluster 0; Green: cluster 1; Purple: cluster 2; Orange: cluster 3. PCA: Principal component analysis; PC1: principal component 1; PC2: principal component 2; PC3: principal component 3.