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arXiv 2025 opXRD: Open Experimental Powder X-ray Diffraction Database Daniel Hollarek, Henrik Schopmans, Jona Östreicher, Jonas Teufel, Bin Cao, Adie Alwen, Simon Schweidler, Mriganka Singh, Tim Kodalle, Hanlin Hu, Gregoire Heymans, Maged Abdelsamie, Arthur Hardiagon, Alexander Wieczorek, Siarhei Zhuk, Ruth Schwaiger, Sebastian Siol, François-Xavier Coudert, Moritz Wolf, Carolin M. Sutter-Fella, Ben Breitung, Andrea M. Hodge, Tong-yi Zhang, Pascal Friederich. Preprint
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JPS 2025 Enhancing the performance of Li-rich oxide cathodes through multifunctional surface engineering Tongxing Lei, Guolin Cao, Xiuling Shi, Bin Cao, Zhiyu Ding, Yu Bai, Junwei Wu, , Kaikai Li, Tongyi Zhang. JPS (JCR Q1)
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ICLR 2025 SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystal Symmetry Classification Benchmark Bin Cao, Yang Liu, Zinan Zheng, Ruifeng Tan, Jia Li, Tong-yi Zhang. ICLR2025 (Top-tier AI conference)
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SMALL 2024 Machine Learning-Engineered Nanozyme System for Synergistic Anti-Tumor Ferroptosis/Apoptosis Therapy Tianliang Li, Bin Cao(co-first author), Tianhao Su, …, Lingyan Feng, Tong-yi Zhang. SMALL (JCR Q1)
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JMI 2024 CGWGAN: crystal generative framework based on Wyckoff generative adversarial network Tianhao Su, Bin Cao(co-first author), Shunbo Hu, Musen Li, Tong-yi Zhang. JMI (New journal led by my supervisor, Prof. Zhang Tongyi.)
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JPS 2024 A universal strategy towards high-rate and ultralong-life of Li-rich Mn- based cathode materials Fu, W., Lei, T., Cao, B., Shi, X., Zhang, Q., Ding, Z., … & Wu, J. Journal of Power Sources (JCR Q1)
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arXiv 2024 SimXRD-4M: Big Simulated X-ray Diffraction Data Accelerate the Crystalline Symmetry Classification Bin Cao, Yang Liu, Zinan Zheng, Ruifeng Tan, Jia Li, Tong-yi Zhang
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IUCrJ 2024 Crystallographic Phase Identifier of a Convolutional Self-Attention Neural Network (CPICANN) on Powder Diffraction Patterns Shouyang Zhang, Bin Cao (co-first), Tianhao Su, Yue Wu, Zhenjie Feng, Jie Xiong, Tong-Yi Zhang (JCR Q1)
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Chem Eng J 2024 A Li-rich layered oxide cathode with remarkable capacity and prolonged cycle life Tongxing Lei, Bin Cao, Wenbo Fu, Xiuling Shi, Zhiyu Ding, Qi Zhang, Junwei Wu, Kaikai Li, Tong-Yi Zhang (JCR Q1)
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MD 2024 Active Learning Accelerates the Discovery of High Strength and High Ductility Lead-Free Solder Alloys B Cao, T Su, S Yu, T Li, T Zhang, Z Dong, TY Zhang (JCR Q1)
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npj 2024 MLMD: a programming-free AI platform to predict and design materials Jiaxuan Ma, Bin Cao (co-first author), Shuya Dong, Yuan Tian, Menghuan Wang, Jie Xiong, Sheng Sun (JCR Q1)
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JMRT 2024 Machine learning-assisted composition design of W-free Co-based superalloys with high γ′-solvus temperature and low densityLinlin Sun, Bin Cao, Qingshuang Ma, Qiuzhi Gao, Jiahao Luo, Minglong Gong, Jing Bai, Huijun Li (JCR Q1)
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npj 2023 Divide and conquer: Machine learning accelerated design of lead-free solder alloys with high strength and high ductility Qinghua Wei, Bin Cao (co-first author), Hao Yuan (co-first author), Youyang Chen, Kangdong You, Shuting Yu, Tixin Yang, Ziqiang Dong, Tong-Yi Zhang (JCR Q1)
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Nano Energy 2023 Orthorhombic (Ru, Mn)2O3: A superior electrocatalyst for acidic oxygen evolution reactionYin Qin, Bin Cao, Xiao-Ye Zhou, Zhuorui Xiao, Hanxiang Zhou, Zhenyi Zhao, Yibo Weng, Jianshuai Lv, Yang Liu, Yan-Bing He, Feiyu Kang, Kaikai Li, Tong-Yi Zhang (JCR Q1)
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Materials 2023 Fabricated High-Strength, Low-Elastic Modulus Biomedical Ti-24Nb-4Zr-8Sn Alloy via Powder MetallurgyGuo, A.X.Y., Cao, B., Wang, Z., Ma, X., Cao, S.C. (JCR Q1)
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JMST 2023 Discovering a formula for the high temperature oxidation behavior of FeCrAlCoNi based high entropy alloys by domain knowledge-guided machine learningQinghua Wei, Bin Cao, Lucheng Deng, Ankang Sun, Ziqiang Dong, Tong-Yi Zhang (JCR Q1)
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JMI 2022 (Cover paper)Domain knowledge-guided interpretive machine learning: formula discovery for the oxidation behavior of ferritic-martensitic steels in supercritical water Bin Cao, Shuang Yang, Ankang Sun, Ziqiang Dong, Tong-Yi Zhang (New journal led by my supervisor, Prof. Zhang Tongyi.)