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...

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Detalles Bibliográficos
Autores principales: Çaylak, Onur, Yaman, Anil, Baumeier, Björn
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
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

Internet

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

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