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RESEARCH PAPER · Solar RRL · 2024

Extrapolative Machine Learning for Accurate Efficiency Prediction in Non‐Fullerene Ternary Organic Solar Cells: Leveraging Computable Molecular Descriptors in High‐Throughput Virtual Screening

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Extrapolative Machine Learning for Accurate Efficiency Prediction in Non‐Fullerene Ternary Organic Solar Cells: Leveraging Computable Molecular Descriptors in High‐Throughput Virtual ScreeningOriginalMachine Learning Approaches for Predicting Power Conversion Efficiency in Organic Solar Cells: A Comprehensive Review12Molecular design of organic photovoltaic donors and non-fullerene acceptors: a combined machine learning and genetic algorithm approach13El Agente: An autonomous agent for quantum chemistry54OPECM: A comprehensive dataset for organic polymer energy conversion materials enabling data-driven interpretative analysis0Use of Fiber-Reinforced Polymeric Composites in Solar Energy Systems and Integration of Photovoltaic Cells into Mobile Platforms0Predicting power conversion efficiency in donor-acceptor pairs for organic solar cells using machine learning ensemble models5Interpretable prediction model for organic solar cell performance: A principal component analysis-based investigation of feature importance1Toward autonomous discovery in small-molecule organic photovoltaics: A review integrating artificial intelligence and machine learning within the molecular design landscape0High-throughput virtual screening for organic electronics: From energy levels to advanced properties and physical insight0From Molecular Design to Device Performance: DFT and TD ‐ DFT Insights into Small‐Molecule Organic Solar Cells0

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  1. Machine Learning Approaches for Predicting Power Conversion Efficiency in Organic Solar Cells: A Comprehensive Review

    Solar RRL · 2024-10-09

    Yang Jiang, Chuang Yao, Yezi Yang, Jinshan Wang

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  2. Molecular design of organic photovoltaic donors and non-fullerene acceptors: a combined machine learning and genetic algorithm approach

    Journal of Materials Chemistry C · 2025-01-01

    Rui Cao, Cai‐Rong Zhang, Xiaomeng Liu, Ji-Jun Gong, Meiling Zhang, Zi‐Jiang Liu, Youzhi Wu, Hong-Shan Chen

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  3. El Agente: An autonomous agent for quantum chemistry

    Matter · 2025-07-01

    Yushi Zou, Austin Cheng, Abdulrahman Aldossary, Jiaru Bai, Shi Xuan Leong, Jorge A. Campos-Gonzalez-Angulo, Changhyeok Choi, Cher Tian Ser, Gary Tom, Andrew Wang, Zijian Zhang, Ilya Yakavets, Hao Han, Chris Crebolder, Varinia Bernales, Alán Aspuru‐Guzik

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  4. OPECM: A comprehensive dataset for organic polymer energy conversion materials enabling data-driven interpretative analysis

    Physical Review Materials · 2025-12-10

    Xiumin Liu, Xinyue Zhang, Yabei Wu, Xuehai Ju, Caichao Ye, Wenqing Zhang

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  5. Use of Fiber-Reinforced Polymeric Composites in Solar Energy Systems and Integration of Photovoltaic Cells into Mobile Platforms

    Springer Proceedings in Materials · 2026-01-01

    Gülnur Başer, Melisa Yeke

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  6. Predicting power conversion efficiency in donor-acceptor pairs for organic solar cells using machine learning ensemble models

    Journal of Photochemistry and Photobiology A Chemistry · 2026-01-28

    Kapil Dev Mahato

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  7. Interpretable prediction model for organic solar cell performance: A principal component analysis-based investigation of feature importance

    Computational and Theoretical Chemistry · 2026-03-15

    Qing Wu, Liyan Jiang, Si Huang, Aokui Sun, Yong Xia

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  8. Toward autonomous discovery in small-molecule organic photovoltaics: A review integrating artificial intelligence and machine learning within the molecular design landscape

    Organic Electronics · 2026-04-06

    Sania Ismaeel, Sidra Manzoor, Muhammad Zohaib Sabir

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  9. High-throughput virtual screening for organic electronics: From energy levels to advanced properties and physical insight

    Chemical Physics Reviews · 2026-05-01

    Xia Wu, Bengt E. Tegner, Alessandro Troisi

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  10. From Molecular Design to Device Performance: DFT and TD ‐ DFT Insights into Small‐Molecule Organic Solar Cells

    International Journal of Quantum Chemistry · 2026-08-03

    Sana ABBAS, Usman Ali, Ahlam El Ghazali, Fatima Baila, Abdessamad Tounsi

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