Cyrille Lavigne

University of Toronto — Canada

Materials Science · Physical Sciences

12h-index1.1kcitations44works37.82yr avg
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Research Topics

Machine Learning in Materials Science(15), Innovative Microfluidic and Catalytic Techniques Innovation(8), Computational Drug Discovery Methods(7), Organic Electronics and Photovoltaics(6), Organic Light-Emitting Diodes Research(6)

Publications44 total

Delocalized, asynchronous, closed-loop discovery of organic laser emitters
Science·2024· 113 citedOpen Access
Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters
Zenodo (CERN European Organization for Nuclear Research)·2024Open Access
Ultrafast Computational Screening of Molecules with Inverted Singlet–Triplet Energy Gaps Using the Pariser–Parr–Pople Semiempirical Quantum Chemistry Method
The Journal of Physical Chemistry A·2024· 38 citedOpen Access
Ultrafast computational screening of molecules with inverted singlet-triplet energy gaps using the Pariser-Parr-Pople semi-empirical quantum chemistry method
2024· 1 citedOpen Access
Ultrafast computational screening of molecules with inverted singlet-triplet energy gaps using the Pariser-Parr-Pople semi-empirical quantum chemistry method
2023· 8 citedOpen Access
Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters
2023· 16 citedOpen Access
Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters
2023Open Access
Data supporting article "Ultrafast computational screening of molecules with inverted singlet-triplet energy gaps using the Pariser-Parr-Pople semi-empirical quantum chemistry method"
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
A Materials Acceleration Platform for Organic Laser Discovery (Adv. Mater. 6/2023)
Advanced Materials·2023· 3 citedOpen Access
A Materials Acceleration Platform for Organic Laser Discovery
Advanced Materials·2022· 50 citedOpen Access
Toward Quantum Computing with Molecular Electronics
Journal of Chemical Theory and Computation·2022· 12 cited
A Materials Acceleration Platform for Organic Laser Discovery
2022· 5 citedOpen Access
Towards Quantum Computing with Molecular Electronics
arXiv (Cornell University)·2022Open Access
Routescore: Punching the Ticket to More Efficient Materials Development
ACS Central Science·2022· 20 citedOpen Access
Guided discovery of chemical reaction pathways with imposed activation
Chemical Science·2022· 14 citedOpen Access
funsies: A minimalist, distributed and dynamic workflow engine
The Journal of Open Source Software·2021· 2 citedOpen Access
Routescore: Punching the Ticket to More Efficient Materials Development
2021· 1 citedOpen Access
Routescore: Punching the Ticket to More Efficient Materials Development
2021· 4 citedOpen Access
Code and Data for "Routescore: Punching the Ticket to More Efficient Materials Development"
Zenodo (CERN European Organization for Nuclear Research)·2021Open Access
Code and Data for "Routescore: Punching the Ticket to More Efficient Materials Development"
2021Open Access
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Frequent Co-authors

Alán Aspuru‐Guzik(34), Robert Pollice(17), Martin Seifrid(13), Tony Wu(13), Jenya Vestfrid(13), Andrés Aguilar‐Granda(13), Riley J. Hickman(11), Gabriel dos Passos Gomes(8), Han Hao(7), Nicholas H. Angello(7), Kazuhiro Hotta(7), Chihaya Adachi(7), Jason E. Hein(7), Martin D. Burke(7), Théophile Gaudin(6), Emily J. Hopkins(6), Yury Lebedev(6), Susan Cheng(6), Alan J. Lough(6), Dwight S. Seferos(6)