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Computational Discovery of TTF Molecules with Deep Generative Models
We present a computational workflow based on quantum chemical calculations and generative models based on deep neural networks for the discovery of novel materials. We apply the developed workflow to search for molecules suitable for the fusion of triplet-triplet excitations (triplet-triplet fusion,...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8733737/ https://www.ncbi.nlm.nih.gov/pubmed/35004615 http://dx.doi.org/10.3389/fchem.2021.800133 |