Cargando…
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...
| Autores principales: | , , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2019
|
| Materias: | |
| 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 |