Articles with "correlation functional" as a keyword



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Learning the exchange-correlation functional from nature with fully differentiable density functional theory

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Published in 2021 at "Physical review letters"

DOI: 10.1103/physrevlett.127.126403

Abstract: Improving the predictive capability of molecular properties in abĀ initio simulations is essential for advanced material discovery. Despite recent progress making use of machine learning, utilizing deep neural networks to improve quantum chemistry modeling remains severely… read more here.

Keywords: exchange; fully differentiable; density functional; correlation functional ... See more keywords
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Optical coherence tomography features and correlation of functional and structural parameters in patients of idiopathic intracranial hypertension

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Published in 2022 at "Indian Journal of Ophthalmology"

DOI: 10.4103/ijo.ijo_2103_21

Abstract: Purpose: To determine the correlation between functional parameters and optical coherence tomography (OCT) features in patients of idiopathic intracranial hypertension (IIH). Methods: A prospective observational study in early and established cases of papilledema in IIH… read more here.

Keywords: gcl ipl; coherence tomography; correlation; functional parameters ... See more keywords