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...

Full description

Saved in:
Bibliographic Details
Published in:Adv Sci (Weinh)
Main Authors: Ghosh, Kunal, Stuke, Annika, Todorović, Milica, Jørgensen, Peter Bjørn, Schmidt, Mikkel N., Vehtari, Aki, Rinke, Patrick
Format: Artigo
Language:Inglês
Published: John Wiley and Sons Inc. 2019
Subjects:
Full Papers
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6498126/
https://ncbi.nlm.nih.gov/pubmed/31065514
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/advs.201801367
Tags: Add Tag
No Tags, Be the first to tag this record!

Similar Items