Cargando…
Low-cost machine learning prediction of excited state properties of iridium-centered phosphors
Prediction of the excited state properties of photoactive iridium complexes challenges ab initio methods such as time-dependent density functional theory (TDDFT) both from the perspective of accuracy and of computational cost, complicating high-throughput virtual screening (HTVS). We instead leverag...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9906783/ https://www.ncbi.nlm.nih.gov/pubmed/36794185 http://dx.doi.org/10.1039/d2sc06150c |