TY - JOUR
T1 - A Materials Acceleration Platform for Organic Laser Discovery
AU - Wu, Tony C.
AU - Aguilar-Granda, Andrés
AU - Hotta, Kazuhiro
AU - Yazdani, Sahar Alasvand
AU - Pollice, Robert
AU - Vestfrid, Jenya
AU - Hao, Han
AU - Lavigne, Cyrille
AU - Seifrid, Martin
AU - Angello, Nicholas
AU - Bencheikh, Fatima
AU - Hein, Jason E.
AU - Burke, Martin
AU - Adachi, Chihaya
AU - Aspuru-Guzik, Alán
N1 - Funding Information:
T.C.W. and A.A.G. contributed equally to this work. The authors acknowledge the Defense Advanced Research Projects Agency (DARPA) under the Accelerated Molecular Discovery Program under Cooperative Agreement No. HR00111920027 dated August 1, 2019. The content of the information presented in this work does not necessarily reflect the position or the policy of the Government. All computations reported in this work were performed on the Niagara supercomputer at the SciNet HPC Consortium. SciNet is funded by the Canada Foundation for Innovation, the Government of Ontario, Ontario Research Fund‐Research Excellence, and by the University of Toronto. T.C.W. acknowledges funding through University of Toronto Arts & Science Postdoctoral Fellowship. R.P. acknowledges funding through a Postdoc.Mobility fellowship by the Swiss National Science Foundation (SNSF, Project No. 191127). The authors acknowledge important discussions with Rafael Gómez‐Bombarelli (MIT) and Stéphane Kéna Cohen (Polytechnique Montréal). A.A.G. acknowledges generous support from Anders G. Frøseth. The authors acknowledge equipment support from the Canadian Foundation for Innovation and the Ontario Research Fund as well as support from the Canada 150 Research Chairs Program. The authors acknowledge Lumtec Inc. for custom synthesis of candidate materials.
Publisher Copyright:
© 2022 The Authors. Advanced Materials published by Wiley-VCH GmbH.
PY - 2022
Y1 - 2022
N2 - Conventional materials discovery is a laborious and time-consuming process that can take decades from initial conception of the material to commercialization. Recent developments in materials acceleration platforms promise to accelerate materials discovery using automation of experiments coupled with machine learning. However, most of the automation efforts in chemistry focus on synthesis and compound identification, with integrated target property characterization receiving less attention. In this work, an automated platform is introduced for the discovery of molecules as gain mediums for organic semiconductor lasers, a problem that has been challenging for conventional approaches. This platform encompasses automated lego-like synthesis, product identification, and optical characterization that can be executed in a fully integrated end-to-end fashion. Using this workflow to screen organic laser candidates, discovered eight potential candidates for organic lasers is discovered. The lasing threshold of four molecules in thin-film devices and find two molecules with state-of-the-art performance is tested. These promising results show the potential of automated synthesis and screening for accelerated materials development.
AB - Conventional materials discovery is a laborious and time-consuming process that can take decades from initial conception of the material to commercialization. Recent developments in materials acceleration platforms promise to accelerate materials discovery using automation of experiments coupled with machine learning. However, most of the automation efforts in chemistry focus on synthesis and compound identification, with integrated target property characterization receiving less attention. In this work, an automated platform is introduced for the discovery of molecules as gain mediums for organic semiconductor lasers, a problem that has been challenging for conventional approaches. This platform encompasses automated lego-like synthesis, product identification, and optical characterization that can be executed in a fully integrated end-to-end fashion. Using this workflow to screen organic laser candidates, discovered eight potential candidates for organic lasers is discovered. The lasing threshold of four molecules in thin-film devices and find two molecules with state-of-the-art performance is tested. These promising results show the potential of automated synthesis and screening for accelerated materials development.
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U2 - 10.1002/adma.202207070
DO - 10.1002/adma.202207070
M3 - Article
AN - SCOPUS:85144125661
SN - 0935-9648
JO - Advanced Materials
JF - Advanced Materials
ER -