نتایج جستجو برای: tight binding

تعداد نتایج: 453770  

Journal: :International Journal of Modern Physics B 2018

Journal: :npj computational materials 2022

Abstract We employ machine learning to derive tight-binding parametrizations for the electronic structure of defects. test several methods that map atomic and a defect onto sparse parameterization. Since Multi-layer perceptrons (i.e., feed-forward neural networks) perform best we adopt them our further investigations. demonstrate accuracy parameterizations range important properties such as ban...

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