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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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Dettagli Bibliografici
Pubblicato in:Angew Chem Int Ed Engl
Autori principali: Bernstein, Noam, Bhattarai, Bishal, Csányi, Gábor, Drabold, David A., Elliott, Stephen R., Deringer, Volker L.
Natura: Artigo
Lingua:Inglês
Pubblicazione: John Wiley and Sons Inc. 2019
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Accesso online: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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