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Machine learning with force-field inspired descriptors for materials: fast screening and mapping energy landscape

We present a complete set of chemo-structural descriptors to significantly extend the applicability of machine-learning (ML) in material screening and mapping energy landscape for multicomponent systems. These new descriptors allow differentiating between structural prototypes, which is not possible...

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Bibliographic Details
Published in:Phys Rev Mater
Main Authors: Choudhary, Kamal, DeCost, Brian, Tavazza, Francesca
Format: Artigo
Language:Inglês
Published: 2018
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7067064/
https://ncbi.nlm.nih.gov/pubmed/32166213
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1103/physrevmaterials.2.083801
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