Abstract
We report the first results from a combinatorial design effort focused on new OLED emitters that exploit thermally-activated delayed fluorescence. Using quantum chemistry and machine learning techniques to prune a pool of over 400, 000 combinations of donor and acceptor subgroups, we demonstrate new dyes that are state-of-the-art, yet entirely computationally-derived.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 505-506 |
| Number of pages | 2 |
| Journal | Digest of Technical Papers - SID International Symposium |
| Volume | 46 |
| Issue number | Book 1 |
| DOIs | |
| State | Published - Jun 1 2015 |
| Externally published | Yes |
| Event | 2015 SID International Symposium - San Jose, United States Duration: Jun 2 2015 → Jun 3 2015 |
All Science Journal Classification (ASJC) codes
- General Engineering
Keywords
- Computational
- DFT
- HTVS
- High-throughput screening
- TADF
- TD-DFT
- Theoretical
- Theory-driven
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