Classifying soft self-assembled materials via unsupervised machine learning of defects

oleh: Andrea Gardin, Claudio Perego, Giovanni Doni, Giovanni M. Pavan

Format: Article
Diterbitkan: Nature Portfolio 2022-07-01

Deskripsi

Defects and disordered local domains in soft, self-assembled aggregates determine their dynamic and adaptive properties, and enable communication between entities, but characterizing and classifying such intricate dynamic behaviors is highly complex. Here, the authors report on a data-driven workflow to identify objective criteria for the comparison of complex dynamic features in soft supramolecular materials, deriving a data-driven ’defectometer’ that allows to classify soft self-assembled materials based on the structural dynamics of the ordered/disordered molecular environments that statistically emerge within them.