Open access
Aug 2026
Prediction of High-Performance Donor–Acceptor Pairs for Organic Photovoltaics with Machine Learning
A robust machine learning framework is developed designed to establish correlations between molecular structure and device performance and was used to predict new donor–acceptor pairs with PCEs above 20% and identify prospective candidates for further experimental validation.
Esther Mbina, B. Grandidier, Kekeli N'konou
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