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RESEARCH PAPER · Journal of Materials Chemistry A · 2024

Data-driven discovery of carbonyl organic electrode molecules: machine learning and experiment

Jiayi Du, Jun Guo, Qiqi Sun, Wei Liu, Tong Liu, Gang Huang, Xinbo Zhang

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Data-driven discovery of carbonyl organic electrode molecules: machine learning and experimentOriginalMachine learning-accelerated discovery and design of electrode materials and electrolytes for lithium ion batteries93Accelerating battery innovation: AI-powered molecular discovery58Application-oriented design of machine learning paradigms for battery science69Researching the phenomenon of collision electrification between particles and flat materials based on machine learning1Performance Prediction Models with Improved Accuracy and Generalizability for Organic Cathode‐Active Materials of Lithium‐Ion Battery2Research progress on conjugated carbonyl polymer electrodes for organic lithium batteries7Transformative applications of artificial intelligence in lithium battery materials science: advancements and future prospects0PredPotS: web tool for predicting one-electron standard reduction potentials for organic molecules in aqueous phase1AI-driven exploration and design of inorganic battery materials14Integrating artificial intelligence with electrochemical science for advanced energy storage9Machine Learning‐Guided Design of a Flexible Highly Conductive Additive‐Free Polymer Cathode0Artificial intelligence-facilitated multiscale theoretical modelling to advance battery science2AI‐Accelerated Design and Modeling of Organic Electrochemical Energy Materials: From Redox‐Active Molecules to Polymer Electrolytes0Unlocking rechargeable battery materials with artificial intelligence: From data-descriptor-model workflows to closed-loop discovery0A Data‐to‐Interface Framework for AI‐Guided Sodium‐Ion Battery Materials Discovery: From Descriptors to Full‐Cell Decisions0

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  1. Machine learning-accelerated discovery and design of electrode materials and electrolytes for lithium ion batteries

    Energy storage materials · 2024-08-13

    Guangsheng Xu, Mingxi Jiang, Jinliang Li, Jinliang Li, Xiaoyang Xuan, Jiabao Li, Jiabao Li, Ting Lu, Likun Pan

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  2. Accelerating battery innovation: AI-powered molecular discovery

    Chemical Society Reviews · 2025-01-01

    Yuchen Gao, Xiang Chen, Yu‐Hang Yuan, Yao‐Peng Chen, Yi-Lin Niu, Nan Yao, Yan-Bin Gao, W.Z. Li, Qiang Zhang

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  3. Application-oriented design of machine learning paradigms for battery science

    npj Computational Materials · 2025-04-02

    Ying Wang

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  4. Researching the phenomenon of collision electrification between particles and flat materials based on machine learning

    Particulate Science And Technology · 2025-04-04

    Shuai Zhou, Shanghe Liu, Xiaofeng Hu, Ming Wei, Lei Wang, Yingying Wang, Biao Wang

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  5. Performance Prediction Models with Improved Accuracy and Generalizability for Organic Cathode‐Active Materials of Lithium‐Ion Battery

    Batteries & Supercaps · 2025-05-12

    Rika Yamamoto, Yasuhiko Igarashi, Hiroaki Imai, Taisei Sakata, Shuntaro Miyakawa, Shino Yoshizaki, Takaya Saito, Yuya Oaki

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  6. Research progress on conjugated carbonyl polymer electrodes for organic lithium batteries

    Progress in Polymer Science · 2025-08-11

    Xi Chen, Xi Chen, Jiahao Yao, Yixin Li, Yixin Li, Zhenhua Yan, Kai Zhang, Jun Chen

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  7. Transformative applications of artificial intelligence in lithium battery materials science: advancements and future prospects

    Rare Metals · 2025-09-29

    Guangcun Shan, Zejian Ding, Liujiang Xi, Hongbin Zhao, Jiliang Zhang, Feng Xu

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  8. PredPotS: web tool for predicting one-electron standard reduction potentials for organic molecules in aqueous phase

    npj Computational Materials · 2025-12-07

    Flóra Boróka Németh, Andrea Hamza, Beatrix Tugyi, Maya El-Ali, Luca Szegletes, Ádám Madarász, Imre Pápai

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  9. AI-driven exploration and design of inorganic battery materials

    Renewable and Sustainable Energy Reviews · 2025-12-17

    Xuesong Wang, Nan He, Zidong Zhou, Jing Chen, Abdul Mateen, Yinfei Shao, Xiang Chen, Chengbin Liu, Altaf Mujear, Jianwei Zhang, Feng Liu, Zhihao Bao

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  10. Integrating artificial intelligence with electrochemical science for advanced energy storage

    Journal of Energy Storage · 2026-01-12

    А.А. Китык, Viliam Pavlik, Miroslav Hnatko

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  11. Machine Learning‐Guided Design of a Flexible Highly Conductive Additive‐Free Polymer Cathode

    Angewandte Chemie · 2026-02-08

    Yan Zhang, Xuelian Liu, Yichen Wei, Weiran Wang, Lu Bai, Alexandru Vlad, Junzhong Wang, Jiande Wang

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  12. Artificial intelligence-facilitated multiscale theoretical modelling to advance battery science

    Science China Chemistry · 2026-04-16

    Jiawei Shi, Yun Tian, Mengwei Sun, Xu Zhang, Zhen Zhou

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  13. AI‐Accelerated Design and Modeling of Organic Electrochemical Energy Materials: From Redox‐Active Molecules to Polymer Electrolytes

    Macromolecular Materials and Engineering · 2026-09-01

    Zhan-Yun Zhang, Giannis Savvas, Jichen Li, Yi Zhou, T.T. Le, Daniel Brandell, Rocío Mercado, Chao Zhang

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  14. Unlocking rechargeable battery materials with artificial intelligence: From data-descriptor-model workflows to closed-loop discovery

    Journal of Energy Chemistry · 2026-09-01

    Yang Zhao, Mengjun Li, Limin Geng, Weijia Meng, Jiaye Ye

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  15. A Data‐to‐Interface Framework for AI‐Guided Sodium‐Ion Battery Materials Discovery: From Descriptors to Full‐Cell Decisions

    Advanced Functional Materials · 2026-09-08

    Gang Chen, Hongyang Zhao, Junfeng Li, Junfeng Li, Wenjie Mai, Xingtao Xu, Hongxin Qi, Jinliang Li, Jinliang Li, Jinliang Li, Likun Pan

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