Breaking the digital-physical barrier in organic electronics materials discovery: application to finding anti-Kasha molecules
Ömer H. Omar, Daniele Padula, Kate A. Morrison, Krzysztof Pawlak, Alexander Ciupa, Dávid Havasi, Alessandro Troisi · 2026
Read Breaking the digital-physical barrier in organic electronics materials discovery: application to finding anti-Kasha molecules by Ömer H. Omar, Daniele Padula, Kate A. Morrison, Krzysztof Pawlak, Alexander Ciupa, Dávid Havasi, Alessandro Troisi (2026) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-13592029.txt.
Description
Omer Omar and six co-authors run a joint computer-and-bench hunt for molecules that break a classic rule of light emission, in a 2026 study. Kasha’s rule says molecules glow only from their lowest excited state, since higher states drain away too fast. Rare rule-breakers glow from a higher state too, giving two colors of emission.
A wide gap between the first and second excited states slows that drain, so the team screened 140,000 purchasable molecules through a computing funnel for that trait. Survivors went to real lab tests, closing the loop between prediction and bench. Dual-emitting molecules could power new sensors and displays, and the workflow itself shows how to search chemical space without buying and testing everything blindly.
Catalog record
| CREATOR | Ömer H. Omar, Daniele Padula, Kate A. Morrison, Krzysztof Pawlak, Alexander Ciupa, Dávid Havasi, Alessandro Troisi |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 24 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |