Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

Deep learning methods for the prediction of molecular excitation spectra are presented. For the example of the electronic density of states of 132k organic molecules, three different neural network architectures: multilayer perceptron (MLP), convolutional neural network (CNN), and deep tensor neural...

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Detalles Bibliográficos
Autores principales: Ghosh, Kunal, Stuke, Annika, Todorović, Milica, Jørgensen, Peter Bjørn, Schmidt, Mikkel N., Vehtari, Aki, Rinke, Patrick
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6498126/
https://www.ncbi.nlm.nih.gov/pubmed/31065514
http://dx.doi.org/10.1002/advs.201801367

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6498126/
https://www.ncbi.nlm.nih.gov/pubmed/31065514
http://dx.doi.org/10.1002/advs.201801367

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