Search Results - Zheyong Fan

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  1. 1

    Enhancing transferability of machine learning-based polarizability models in condensed-phase systems via atomic polarizability constraint by Mandi Fang, Yinqiao Zhang, Zheyong Fan, Daquan Tan, Xiaoyong Cao, Chunlei Wei, Nan Xu, Yi He

    Published in npj Computational Materials (2025-07-01)
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  2. 2

    NEP-MB-pol: a unified machine-learned framework for fast and accurate prediction of water’s thermodynamic and transport properties by Ke Xu, Ting Liang, Nan Xu, Penghua Ying, Shunda Chen, Ning Wei, Jianbin Xu, Zheyong Fan

    Published in npj Computational Materials (2025-08-01)
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  3. 3

    GPUTB: Efficient machine learning tight-binding method for large-scale electronic properties calculations by Yunlong Wang, Zhixin Liang, Chi Ding, Junjie Wang, Zheyong Fan, Hui-Tian Wang, Dingyu Xing, Jian Sun

    Published in Computational Materials Today (2025-12-01)
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  4. 4

    Dynamic mesophase transition induces anomalous suppressed and anisotropic phonon thermal transport by Linfeng Yu, Kexin Dong, Qi Yang, Yi Zhang, Zheyong Fan, Xiong Zheng, Huimin Wang, Zhenzhen Qin, Guangzhao Qin

    Published in npj Computational Materials (2024-12-01)
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  5. 5

    Pushing thermal conductivity to its lower limit in crystals with simple structures by Zezhu Zeng, Xingchen Shen, Ruihuan Cheng, Olivier Perez, Niuchang Ouyang, Zheyong Fan, Pierric Lemoine, Bernard Raveau, Emmanuel Guilmeau, Yue Chen

    Published in Nature Communications (2024-04-01)
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  6. 6

    General-purpose machine-learned potential for 16 elemental metals and their alloys by Keke Song, Rui Zhao, Jiahui Liu, Yanzhou Wang, Eric Lindgren, Yong Wang, Shunda Chen, Ke Xu, Ting Liang, Penghua Ying, Nan Xu, Zhiqiang Zhao, Jiuyang Shi, Junjie Wang, Shuang Lyu, Zezhu Zeng, Shirong Liang, Haikuan Dong, Ligang Sun, Yue Chen, Zhuhua Zhang, Wanlin Guo, Ping Qian, Jian Sun, Paul Erhart, Tapio Ala-Nissila, Yanjing Su, Zheyong Fan

    Published in Nature Communications (2024-11-01)
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  7. 7

    GPUMD 4.0: A high‐performance molecular dynamics package for versatile materials simulations with machine‐learned potentials by Ke Xu, Hekai Bu, Shuning Pan, Eric Lindgren, Yongchao Wu, Yong Wang, Jiahui Liu, Keke Song, Bin Xu, Yifan Li, Tobias Hainer, Lucas Svensson, Julia Wiktor, Rui Zhao, Hongfu Huang, Cheng Qian, Shuo Zhang, Zezhu Zeng, Bohan Zhang, Benrui Tang, Yang Xiao, Zihan Yan, Jiuyang Shi, Zhixin Liang, Junjie Wang, Ting Liang, Shuo Cao, Yanzhou Wang, Penghua Ying, Nan Xu, Chengbing Chen, Yuwen Zhang, Zherui Chen, Xin Wu, Wenwu Jiang, Esme Berger, Yanlong Li, Shunda Chen, Alexander J. Gabourie, Haikuan Dong, Shiyun Xiong, Ning Wei, Yue Chen, Jianbin Xu, Feng Ding, Zhimei Sun, Tapio Ala‐Nissila, Ari Harju, Jincheng Zheng, Pengfei Guan, Paul Erhart, Jian Sun, Wengen Ouyang, Yanjing Su, Zheyong Fan

    Published in Materials Genome Engineering Advances (2025-09-01)
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