Differentiable modeling and optimization of non-aqueous Li-based battery electrolyte solutions using geometric deep learning
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DOI: 10.1038/s41467-024-51653-7
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- Jijian Xu & Jiaxun Zhang & Travis P. Pollard & Qingdong Li & Sha Tan & Singyuk Hou & Hongli Wan & Fu Chen & Huixin He & Enyuan Hu & Kang Xu & Xiao-Qing Yang & Oleg Borodin & Chunsheng Wang, 2023. "Electrolyte design for Li-ion batteries under extreme operating conditions," Nature, Nature, vol. 614(7949), pages 694-700, February.
- Xiulin Fan & Xiao Ji & Long Chen & Ji Chen & Tao Deng & Fudong Han & Jie Yue & Nan Piao & Ruixing Wang & Xiuquan Zhou & Xuezhang Xiao & Lixin Chen & Chunsheng Wang, 2019. "All-temperature batteries enabled by fluorinated electrolytes with non-polar solvents," Nature Energy, Nature, vol. 4(10), pages 882-890, October.
- Keith T. Butler & Daniel W. Davies & Hugh Cartwright & Olexandr Isayev & Aron Walsh, 2018. "Machine learning for molecular and materials science," Nature, Nature, vol. 559(7715), pages 547-555, July.
- Zhiao Yu & Hansen Wang & Xian Kong & William Huang & Yuchi Tsao & David G. Mackanic & Kecheng Wang & Xinchang Wang & Wenxiao Huang & Snehashis Choudhury & Yu Zheng & Chibueze V. Amanchukwu & Samantha , 2020. "Molecular design for electrolyte solvents enabling energy-dense and long-cycling lithium metal batteries," Nature Energy, Nature, vol. 5(7), pages 526-533, July.
- Itai Levin & Mengjie Liu & Christopher A. Voigt & Connor W. Coley, 2022. "Merging enzymatic and synthetic chemistry with computational synthesis planning," Nature Communications, Nature, vol. 13(1), pages 1-14, December.
- Adarsh Dave & Jared Mitchell & Sven Burke & Hongyi Lin & Jay Whitacre & Venkatasubramanian Viswanathan, 2022. "Autonomous optimization of non-aqueous Li-ion battery electrolytes via robotic experimentation and machine learning coupling," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
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