Neural Networks Reveal the Impact of the Vibrational Dynamics in the Prediction of the Long-Time Mobility of Molecular Glassformers

Two neural networks (NN) are designed to predict the particle mobility of a molecular glassformer in a wide time window ranging from vibrational dynamics to structural relaxation. Both NNs are trained by information concerning the local structure of the environment surrounding a given particle. The...

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Detalles Bibliográficos
Autores principales: Tripodo, Antonio, Cordella, Gianfranco, Puosi, Francesco, Malvaldi, Marco, Leporini, Dino
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9409352/
https://www.ncbi.nlm.nih.gov/pubmed/36012585
http://dx.doi.org/10.3390/ijms23169322

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9409352/
https://www.ncbi.nlm.nih.gov/pubmed/36012585
http://dx.doi.org/10.3390/ijms23169322

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