most citedCycleChemist: A Dual-Pronged Machine Learning Framework for Organic Photovoltaic Discovery

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cs.LG2025

Accelerating High-Efficiency Organic Photovoltaic Discovery via Pretrained Graph Neural Networks and Generative Reinforcement Learning

Jiangjie Qiu, Hou Hei Lam, Xiuyuan Hu +5

Organic photovoltaic (OPV) materials offer a promising avenue toward cost-effective solar energy utilization. However, optimizing donor-acceptor (D-A) combinations to achieve high…