Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals von Chen, Chi, Ye, Weike, Zuo, Yunxing, Zheng, Chen, Ong, Shyue Ping

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Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order von Yin, Sheng, Zuo, Yunxing, Abu-Odeh, Anas, Zheng, Hui, Li, Xiang-Guo, Ding, Jun, Ong, Shyue Ping, Asta, Mark, Ritchie, Robert O.

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A Critical Review of Machine Learning of Energy Materials von Chen, Chi, Zuo, Yunxing, Ye, Weike, Li, Xiangguo, Deng, Zhi, Ong, Shyue Ping

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Performance and Cost Assessment of Machine Learning Interatomic Potentials von Zuo, Yunxing, Chen, Chi, Li, Xiangguo, Deng, Zhi, Chen, Yiming, Behler, Jörg, Csányi, Gábor, Shapeev, Alexander V, Thompson, Aidan P, Wood, Mitchell A, Ong, Shyue Ping

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Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy von Li, Xiang-Guo, Chen, Chi, Zheng, Hui, Zuo, Yunxing, Ong, Shyue Ping

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Flexible Composite Solid Electrolyte Facilitating Highly Stable “Soft Contacting” Li–Electrolyte Interface for Solid State Lithium‐Ion Batteries von Yang, Luyi, Wang, Zijian, Feng, Yancong, Tan, Rui, Zuo, Yunxing, Gao, Rongtan, Zhao, Yan, Han, Lei, Wang, Ziqi, Pan, Feng

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Genetic algorithm-guided deep learning of grain boundary diagrams: Addressing the challenge of five degrees of freedom von Hu, Chongze, Zuo, Yunxing, Chen, Chi, Ping Ong, Shyue, Luo, Jian

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Atomic-scale origin of the low grain-boundary resistance in perovskite solid electrolyte Li0.375Sr0.4375Ta0.75Zr0.25O3 von Lee, Tom, Qi, Ji, Gadre, Chaitanya A., Huyan, Huaixun, Ko, Shu-Ting, Zuo, Yunxing, Du, Chaojie, Li, Jie, Aoki, Toshihiro, Wu, Ruqian, Luo, Jian, Ong, Shyue Ping, Pan, Xiaoqing

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Accelerating materials discovery with Bayesian optimization and graph deep learning von Zuo, Yunxing, Qin, Mingde, Chen, Chi, Ye, Weike, Li, Xiangguo, Luo, Jian, Ong, Shyue Ping

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Learning properties of ordered and disordered materials from multi-fidelity data von Chen, Chi, Zuo, Yunxing, Ye, Weike, Li, Xiangguo, Ong, Shyue Ping

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Genetic algorithm-guided deep learning of grain boundary diagrams: Addressing the challenges of five degrees of freedom von Hu, Chongze, Zuo, Yunxing, Chen, Chi, Ong, Shyue Ping, Luo, Jian

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Conductive Binder for Si Anode with Boosted Charge Transfer Capability via n‑Type Doping von Zhao, Yan, Yang, Luyi, Zuo, Yunxing, Song, Zhibo, Liu, Fang, Li, Ke, Pan, Feng

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Electrochemically induced amorphous-to-rock-salt phase transformation in niobium oxide electrode for Li-ion batteries von Barnes, Pete, Zuo, Yunxing, Dixon, Kiev, Hou, Dewen, Lee, Sungsik, Ma, Zhiyuan, Connell, Justin G., Zhou, Hua, Deng, Changjian, Smith, Kassiopeia, Gabriel, Eric, Liu, Yuzi, Maryon, Olivia O., Davis, Paul H., Zhu, Haoyu, Du, Yingge, Qi, Ji, Zhu, Zhuoying, Chen, Chi, Zhu, Zihua, Zhou, Yadong, Simmonds, Paul J., Briggs, Ariel E., Schwartz, Darin, Ong, Shyue Ping, Xiong, Hui

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Inorganic Aromaticity of Mn 6 -Ring Cluster in Layered Li(Ni 0.5 Mn 0.5 )O 2 von Hu, Zongxiang, Zheng, Jiaxin, Xin, Chao, Teng, Gaofeng, Zuo, Yunxing, Pan, Feng

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Inorganic Aromaticity of Mn6‑Ring Cluster in Layered Li(Ni0.5Mn0.5)O2 von Hu, Zongxiang, Zheng, Jiaxin, Xin, Chao, Teng, Gaofeng, Zuo, Yunxing, Pan, Feng

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Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals von Chen, Chi, Ye, Weike, Zuo, Yunxing, Zheng, Chen, Ong, Shyue Ping

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The mechanism of external pressure suppressing dendrites growth in Li metal batteries von Lai, Genming, Zuo, Yunxing, Jiao, Junyu, Fang, Chi, Liu, Qinghua, Zhang, Fan, Jiang, Yao, Sheng, Liyuan, Xu, Bo, Ouyang, Chuying, Zheng, Jiaxin

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Performance and Cost Assessment of Machine Learning Interatomic Potentials von Zuo, Yunxing, Chen, Chi, Li, Xiangguo, Deng, Zhi, Chen, Yiming, Behler, Jörg, Csányi, Gábor, Shapeev, Alexander V., Thompson, Aidan P., Wood, Mitchell A., Ong, Shyue Ping

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Electrochemically induced amorphous-to-rock-salt phase transformation in niobium oxide electrode for Li-ion batteries von Barnes, Pete, Zuo, Yunxing, Dixon, Kiev, Hou, Dewen, Lee, Sungsik, Ma, Zhiyuan, Connell, Justin G., Zhou, Hua, Deng, Changjian, Smith, Kassiopeia, Gabriel, Eric, Liu, Yuzi, Maryon, Olivia O., Davis, Paul H., Zhu, Haoyu, Du, Yingge, Qi, Ji, Zhu, Zhuoying, Chen, Chi, Zhu, Zihua, Zhou, Yadong, Simmonds, Paul J., Briggs, Ariel E., Schwartz, Darin, Ong, Shyue Ping, Xiong, Hui

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How to Optimize the Interface between Photosensitizers and TiO2 Nanocrystals with Molecular Engineering to Enhance Performances of Dye-Sensitized Solar Cells? von Zheng, Jiaxin, Zhang, Kai, Fang, Yanyan, Zuo, Yunxing, Duan, Yandong, Zhuo, Zengqing, Chen, Xuanming, Yang, Wanli, Lin, Yuan, Wong, Man Shing, Pan, Feng

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