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Quantifying Chemical Structure and Machine‐Learned Atomic Energies in Amorphous and Liquid Silicon

Amorphous materials are being described by increasingly powerful computer simulations, but new approaches are still needed to fully understand their intricate atomic structures. Here, we show how machine‐learning‐based techniques can give new, quantitative chemical insight into the atomic‐scale stru...

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Detalhes bibliográficos
Publicado no:Angew Chem Int Ed Engl
Main Authors: Bernstein, Noam, Bhattarai, Bishal, Csányi, Gábor, Drabold, David A., Elliott, Stephen R., Deringer, Volker L.
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6563111/
https://ncbi.nlm.nih.gov/pubmed/30835962
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/anie.201902625
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