@article{545db0efb8dd4fd29ab6b19f4d30c206,
title = "A Materials Acceleration Platform for Organic Laser Discovery",
abstract = "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.",
keywords = "accelerated materials discovery, automated synthesis and analysis, autonomous laboratory, organic laser",
author = "Wu, {Tony C.} and Andr{\'e}s Aguilar-Granda and Kazuhiro Hotta and Yazdani, {Sahar Alasvand} and Robert Pollice and Jenya Vestfrid and Han Hao and Cyrille Lavigne and Martin Seifrid and Nicholas Angello and Fatima Bencheikh and Hein, {Jason E.} and Martin Burke and Chihaya Adachi and Al{\'a}n Aspuru-Guzik",
note = "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 G{\'o}mez‐Bombarelli (MIT) and St{\'e}phane K{\'e}na Cohen (Polytechnique Montr{\'e}al). A.A.G. acknowledges generous support from Anders G. Fr{\o}seth. 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. 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 G{\'o}mez-Bombarelli (MIT) and St{\'e}phane K{\'e}na Cohen (Polytechnique Montr{\'e}al). A.A.G. acknowledges generous support from Anders G. Fr{\o}seth. 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.",
year = "2023",
month = feb,
day = "9",
doi = "10.1002/adma.202207070",
language = "English (US)",
volume = "35",
journal = "Advanced Materials",
issn = "0935-9648",
publisher = "Wiley-Blackwell",
number = "6",
}