Beyond Molecular Structure: Critically Assessing Machine Learning for Designing Organic Photovoltaic Materials and Devices

Martin Seifrid, Stanley Lo,Dylan Gregory Choi,Gary Tom,My Linh Le, Kunyu Li, Rahul Sankar, Hoai-Thanh Vuong,Hiba Wakidi,Ahra Yi,Ziyue Zhu,Nora Schopp, Aaron Peng,Benjamin Luginbuhl,Thuc-Quyen Nguyen,Alán Aspuru-Guzik

Journal of Materials Chemistry A（2024）

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摘要

Our study explores the current state of machine learning (ML) as applied to predicting and designing organic photovoltaic (OPV) devices. We outline key considerations for selecting the method of encoding...

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