Electronic, redox, and optical property prediction of organic π-conjugated molecules through a hierarchy of machine learning approaches
Copyright policy )Electronic, redox, and optical property prediction of organic π-conjugated molecules through a hierarchy of machine learning approaches
A hierarchical series of machine learning models are developed to provide robust predictions of the electronic, redox, and optical properties of π-conjugated molecules.
- Iowa State University United States
- University of Kentucky United States
Chemistry, DegreeDisciplines::Physical Sciences and Mathematics::Computer Sciences::Artificial Intelligence and Robotics, DegreeDisciplines::Engineering::Chemical Engineering::Catalysis and Reaction Engineering, 540, DegreeDisciplines::Engineering::Mechanical Engineering::Electro-Mechanical Systems
Chemistry, DegreeDisciplines::Physical Sciences and Mathematics::Computer Sciences::Artificial Intelligence and Robotics, DegreeDisciplines::Engineering::Chemical Engineering::Catalysis and Reaction Engineering, 540, DegreeDisciplines::Engineering::Mechanical Engineering::Electro-Mechanical Systems
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