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11 January 2023 Digital materials discovery in organic electronics
Alessandro Troisi
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Proceedings Volume 12336, Frontiers in Luminescent Organic Semiconductor Materials and Devices; 1233608 (2023) https://doi.org/10.1117/12.2655610
Event: SPIE Photonex, 2022, Birmingham, United Kingdom
Abstract
This talk will provide an overview of the three main approaches used within the group to aid the discovery of new materials (i) high-throughput virtual screening (ii) machine learning and (iii) bottom up construction of physical models. The relation between the tree approaches will be discussed including a methodology for selecting the best strategy given time and budget constraints. The examples cover a number of areas related to organic electronics including charge transport in molecular and polymeric materials, singlet fission, temperature activated delayed fluorescence, organic photovoltaics, emissive materials. We also introduce the DIADEM project, that enables identification and testing-in-the-lab of novel materials for organic electronics.
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Alessandro Troisi "Digital materials discovery in organic electronics", Proc. SPIE 12336, Frontiers in Luminescent Organic Semiconductor Materials and Devices, 1233608 (11 January 2023); https://doi.org/10.1117/12.2655610
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KEYWORDS
Organic electronics
Digital electronics
Luminescence
Machine learning
Molecular electronics
Organic photovoltaics
Polymers
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