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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
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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. |
format | Online Article Text |
id | pubmed-8847422 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
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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