Modeling the dielectric constants of crystals using machine learning

The relative permittivity of a crystal is a fundamental property that links microscopic chemical bonding to macroscopic electromagnetic response. Multiple models, including analytical, numerical, and statistical descriptions, have been made to understand and predict dielectric behavior. Analytical m...

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Veröffentlicht in:	The Journal of chemical physics 2020-07, Vol.153 (2), p.024503-024503
Hauptverfasser:	Morita, Kazuki, Davies, Daniel W., Butler, Keith T., Walsh, Aron
Format:	Artikel
Sprache:	eng
Schlagworte:	Artificial neural networks Chemical bonds Confidence Crystals Game theory Machine learning Mathematical models Permittivity Perturbation methods Perturbation theory Regression analysis Statistical analysis Support vector machines
Online-Zugang:	Volltext
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