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Neural network approaches for solving Schrödinger equation in arbitrary quantum wells

In this work we approach the Schrödinger equation in quantum wells with arbitrary potentials, using the machine learning technique. Two neural networks with different architectures are proposed and trained using a set of potentials, energies, and wave functions previously generated with the classica...

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Autores principales: Radu, A., Duque, C. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8847422/
https://www.ncbi.nlm.nih.gov/pubmed/35169213
http://dx.doi.org/10.1038/s41598-022-06442-x
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author Radu, A.
Duque, C. A.
author_facet Radu, A.
Duque, C. A.
author_sort Radu, A.
collection PubMed
description In this work we approach the Schrödinger equation in quantum wells with arbitrary potentials, using the machine learning technique. Two neural networks with different architectures are proposed and trained using a set of potentials, energies, and wave functions previously generated with the classical finite element method. Three accuracy indicators have been proposed for testing the estimates given by the neural networks. The networks are trained by the gradient descent method and the training validation is done with respect to a large training data set. The two networks are then tested for two different potential data sets and the results are compared. Several cases with analytical potential have also been solved.
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spelling pubmed-88474222022-02-17 Neural network approaches for solving Schrödinger equation in arbitrary quantum wells Radu, A. Duque, C. A. Sci Rep Article In this work we approach the Schrödinger equation in quantum wells with arbitrary potentials, using the machine learning technique. Two neural networks with different architectures are proposed and trained using a set of potentials, energies, and wave functions previously generated with the classical finite element method. Three accuracy indicators have been proposed for testing the estimates given by the neural networks. The networks are trained by the gradient descent method and the training validation is done with respect to a large training data set. The two networks are then tested for two different potential data sets and the results are compared. Several cases with analytical potential have also been solved. Nature Publishing Group UK 2022-02-15 /pmc/articles/PMC8847422/ /pubmed/35169213 http://dx.doi.org/10.1038/s41598-022-06442-x Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Radu, A.
Duque, C. A.
Neural network approaches for solving Schrödinger equation in arbitrary quantum wells
title Neural network approaches for solving Schrödinger equation in arbitrary quantum wells
title_full Neural network approaches for solving Schrödinger equation in arbitrary quantum wells
title_fullStr Neural network approaches for solving Schrödinger equation in arbitrary quantum wells
title_full_unstemmed Neural network approaches for solving Schrödinger equation in arbitrary quantum wells
title_short Neural network approaches for solving Schrödinger equation in arbitrary quantum wells
title_sort neural network approaches for solving schrödinger equation in arbitrary quantum wells
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8847422/
https://www.ncbi.nlm.nih.gov/pubmed/35169213
http://dx.doi.org/10.1038/s41598-022-06442-x
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