Delocalized, asynchronous, closed-loop discovery of organic laser emitters

Author:

Strieth-Kalthoff Felix12ORCID,Hao Han123ORCID,Rathore Vandana45ORCID,Derasp Joshua6ORCID,Gaudin Théophile2ORCID,Angello Nicholas H.457ORCID,Seifrid Martin128ORCID,Trushina Ekaterina9ORCID,Guy Mason6ORCID,Liu Junliang6ORCID,Tang Xun10ORCID,Mamada Masashi10ORCID,Wang Wesley457ORCID,Tsagaantsooj Tuul10,Lavigne Cyrille12ORCID,Pollice Robert12ORCID,Wu Tony C.12ORCID,Hotta Kazuhiro1211,Bodo Leticia1ORCID,Li Shangyu1,Haddadnia Mohammad112ORCID,Wołos Agnieszka1314ORCID,Roszak Rafał1314ORCID,Ser Cher Tian12ORCID,Bozal-Ginesta Carlota1215ORCID,Hickman Riley J.12,Vestfrid Jenya12ORCID,Aguilar-Granda Andrés12ORCID,Klimareva Elena L.9ORCID,Sigerson Ralph C.9ORCID,Hou Wenduan9ORCID,Gahler Daniel9ORCID,Lach Slawomir9,Warzybok Adrian916,Borodin Oleg9ORCID,Rohrbach Simon9ORCID,Sanchez-Lengeling Benjamin17ORCID,Adachi Chihaya10ORCID,Grzybowski Bartosz A.141819ORCID,Cronin Leroy39ORCID,Hein Jason E.3620ORCID,Burke Martin D.345721ORCID,Aspuru-Guzik Alán1231222ORCID

Affiliation:

1. Department of Chemistry, University of Toronto, Toronto, ON, Canada.

2. Department of Computer Science, University of Toronto, Toronto, ON, Canada.

3. Acceleration Consortium, University of Toronto, Toronto, ON, Canada.

4. Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL, USA.

5. Molecule Maker Lab, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL, USA.

6. Department of Chemistry, University of British Columbia, Vancouver, BC, Canada.

7. Molecule Maker Lab Institute, Carl R. Woese Institute for Genomic Biology, University of Illinois at Urbana-Champaign, Urbana, IL, USA.

8. Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC, USA.

9. School of Chemistry, University of Glasgow, Glasgow, UK.

10. Center for Organic Photonics and Electronics Research (OPERA), Kyushu University, Fukuoka, Japan.

11. Mitsubishi Chemical Corporation Science & Innovation Center, Kanagawa, Japan.

12. Vector Institute for Artificial Intelligence, Toronto, ON, Canada.

13. Allchemy Inc., Highland, IN, USA.

14. Institute of Organic Chemistry, Polish Academy of Sciences, Warsaw, Poland.

15. Catalonia Institute for Energy Research, Barcelona, Spain.

16. Department of Chemical Physics, Jagiellonian University, Krakow, Poland.

17. Google Research, Brain Team, Cambridge, MA, USA.

18. Center for Algorithmic and Robotized Synthesis, Institute for Basic Science, Ulsan, Republic of Korea.

19. Department of Chemistry, Ulsan Institute of Science and Technology, Ulsan, Republic of Korea.

20. Department of Chemistry, University of Bergen, Bergen, Norway.

21. Cancer Center at Illinois, University of Illinois at Urbana-Champaign, Urbana, IL, USA.

22. Department of Chemical Engineering and Applied Chemistry, University of Toronto, Toronto, ON, Canada.

Abstract

Contemporary materials discovery requires intricate sequences of synthesis, formulation, and characterization that often span multiple locations with specialized expertise or instrumentation. To accelerate these workflows, we present a cloud-based strategy that enabled delocalized and asynchronous design-make-test-analyze cycles. We showcased this approach through the exploration of molecular gain materials for organic solid-state lasers as a frontier application in molecular optoelectronics. Distributed robotic synthesis and in-line property characterization, orchestrated by a cloud-based artificial intelligence experiment planner, resulted in the discovery of 21 new state-of-the-art materials. Gram-scale synthesis ultimately allowed for the verification of best-in-class stimulated emission in a thin-film device. Demonstrating the asynchronous integration of five laboratories across the globe, this workflow provides a blueprint for delocalizing—and democratizing—scientific discovery.

Publisher

American Association for the Advancement of Science (AAAS)

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