fig3

Clustering molecular energy landscapes by adaptive network embedding

Figure 3. Hierarchical embeddings for the LJ cluster with 38 atoms. Pictured are the embeddings before (left) and after (right) applying Metadynamics. Color scheme denotes commute time from the global minimum, with dark blue being shortest distances, and red as furthest distances. LJ: Lennard-Jones.

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