Identifying structure–absorption relationships and predicting absorption strength of non-fullerene acceptors for organic photovoltaics - Yan, Jun; Rodríguez-Martínez, Xabier; Pearce, Drew; Douglas, Hana; Bili, Danai; Azzouzi, Mohammed; Eisner, Flurin; Virbule, Alise; Rezasoltani, Elham; Belova, Valentina; Dörling, Bernhard; Few, Sheridan; et al. (Energy & environmental science, 2022)
Keywords: Absorption; Algorithms; Chemistry; Computational efficiency; Computer applications; Computing costs; Decision trees; Density functional theory; Fullerenes; Harvesters; Machine learning; Molecular structure; Optical properties; Organic chemistry; Photovoltaic cells; Photovoltaics; Statistical analysis