Quantum-Classical Computational Molecular Design of Deuterated High-Efficiency OLED Emitters

Quantum-Classical Computational Molecular Design of Deuterated High-Efficiency OLED Emitters

This paper describes a hybrid quantum-classical computational approach to designing synthesizable deuterated tris(8-hydroxyquinolinato) aluminum (Alq3) emitters with desirable emission quantum efficiency (QE). This multi-pronged approach first uses classical quantum chemistry to create a machine lea...

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Bibliographic Details
Main Authors: Qi Gao, Gavin O. Jones, Takao Kobayashi, Michihiko Sugawara, Hiroki Yamashita, Hideaki Kawaguchi, Shu Tanaka, Naoki Yamamoto
Format: Article
Language:English
Published: American Association for the Advancement of Science (AAAS) 2023-01-01
Series:Intelligent Computing
Online Access:https://spj.science.org/doi/10.34133/icomputing.0037

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https://spj.science.org/doi/10.34133/icomputing.0037

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