fig4

Clustering molecular energy landscapes by adaptive network embedding

Figure 4. Embeddings of the local minima of the 38-atom LJ cluster with potential energies less than -170.9. The figure shows output of the second level embeddings with Metadynamics adjustment. Color scheme denotes commute time from the global minimum. LJ: Lennard-Jones.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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