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Physically inspired deep learning of molecular excitations and photoemission spectra
Modern functional materials consist of large molecular building blocks with significant chemical complexity which limits spectroscopic property prediction with accurate first-principles methods. Consequently, a targeted design of materials with tailored optoelectronic properties by high-throughput s...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8372319/ https://www.ncbi.nlm.nih.gov/pubmed/34447563 http://dx.doi.org/10.1039/d1sc01542g |