Harnessing generative AI for efficient organic materials discovery in low-data regimes
Abstract
A building block-based generative AI combined with DFT screening enables the efficient discovery of TADF materials in low-data regimes. Experimental validation confirms the design of green emitters with external quantum efficiencies up to 11.22%.
Fields of Study & Subjects
Machine Learning in Materials Science
Organic Electronics and Photovoltaics
Luminescence and Fluorescent Materials
Publication details
- Journal / source
- Digital Discovery
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 5
- Issue
- 3
- Pages
- 1161–1171
- Publication date
- 1 January 2026
- Language
- EN