fig8

Clustering molecular energy landscapes by adaptive network embedding

Figure 8. Hierarchical embeddings of the local minima network for the 8-atom LJ cluster, based on a TPT-based subnetwork consisting of the nodes clustered around the global minimum (in dark blue), and the metadynamic adjustment. Colors of embeddings denote potential energy same as in previous illustrations. LJ: Lennard-Jones; TPT: Transition Path Theory.

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