Molecular structural descriptor‐assisted machine learning for organic photovoltaics with perylenediimide acceptors
Gyu‐Hee Kim,
Keonho Yoon,
Chihyung Lee
et al.
Abstract:Although organic photovoltaics (OPVs) have evolved over the last two decades, the discovery of new materials and optimization of numerous considerations for high‐performance devices remain challenging. To reduce these laborious processes and expedite the advancement of OPVs, we constructed machine learning (ML) models that predict photovoltaic parameters. We designed a unique descriptor that divides the molecular structure into smaller units and translates them into a concise matrix. This allows the ML model t… Show more
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