Turbocharged molecular discovery of OLED emitters: from high-throughput quantum simulation to highly efficient TADF devices

Discovering new OLED emitters requires many experiments to synthesize candidates and test performance in devices. Large scale computer simulation can greatly speed this search process but the problem remains challenging enough that brute force application of massive computing power is not enough to...

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Bibliographic Details
Main Authors: Gómez-Bombarelli, Rafael, Aguilera-Iparraguirre, Jorge, Hirzel, Timothy D., Aspuru-Guzik, Alán, Ha, Dong-Gwang, Einzinger, Markus, Wu, Tony C, Baldo, Marc A
Other Authors: Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science
Format: Article
Language:en_US
Published: SPIE 2017
Online Access:http://hdl.handle.net/1721.1/110710
https://orcid.org/0000-0001-6295-8087
https://orcid.org/0000-0002-4952-2905
https://orcid.org/0000-0003-3005-9831
https://orcid.org/0000-0003-2201-5257