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Evolutionary Approach to Constructing a Deep Feedforward Neural Network for Prediction of Electronic Coupling Elements in Molecular Materials
[Image: see text] We present a general framework for the construction of a deep feedforward neural network (FFNN) to predict distance and orientation dependent electronic coupling elements in disordered molecular materials. An evolutionary algorithm automatizes the selection of an optimal architectu...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6581422/ https://www.ncbi.nlm.nih.gov/pubmed/30753071 http://dx.doi.org/10.1021/acs.jctc.8b01285 |