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RESEARCH PAPER · Physical review. B./Physical review. B · 2020

Modeling of metal nanoparticles: Development of neural-network interatomic potential inspired by features of the modified embedded-atom method

Feifeng Wu, Hang Min, Yanwei Wen, Rong Chen, Yunkun Zhao, Michael J. Ford, Bin Shan

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Modeling of metal nanoparticles: Development of neural-network interatomic potential inspired by features of the modified embedded-atom methodOriginalLattice inversion potential with neural network corrections for metallic systems1Deep dive into machine learning density functional theory for materials science and chemistry111Atomistic neural network representations for chemical dynamics simulations of molecular, condensed phase, and interfacial systems: Efficiency, representability, and generalization40Investigation on the combustion mechanism for NF 3 /H 2 in DF/HF chemical lasers: a new perspective based on deep potential molecular dynamics simulations2Machine learning molecular dynamics reveals atomistic mechanisms of ion beam damage in calcium fluoride1Self-learning quantum Monte Carlo: Application to the classical Holstein spin-fermion model1

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  1. Lattice inversion potential with neural network corrections for metallic systems

    Computational Materials Science · 2022-02-28

    Feifeng Wu, Xianbao Duan, Ping Qian, Hang Min, Yanwei Wen, Rong Chen, Yunkun Zhao, Bin Shan

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  2. Deep dive into machine learning density functional theory for materials science and chemistry

    Physical Review Materials · 2022-04-05

    Lenz Fiedler, Karan Shah, Michael Bußmann, Attila Cangi

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  3. Atomistic neural network representations for chemical dynamics simulations of molecular, condensed phase, and interfacial systems: Efficiency, representability, and generalization

    Wiley Interdisciplinary Reviews Computational Molecular Science · 2022-11-16

    Yaolong Zhang, Qidong Lin, Bin Jiang

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  4. Investigation on the combustion mechanism for NF 3 /H 2 in DF/HF chemical lasers: a new perspective based on deep potential molecular dynamics simulations

    Physical Chemistry Chemical Physics · 2024-01-01

    Yinhua Ma, Dongmei Mu, Meiheng Lv, Nan Wang, Huaxin Liu, Fangjian Shang, Jianyong Liu

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  5. Machine learning molecular dynamics reveals atomistic mechanisms of ion beam damage in calcium fluoride

    Physical Chemistry Chemical Physics · 2025-01-01

    Zixuan Chen, Jixiang Ding, Shayu Song, Rongtao Shen, Jianguo Zhang, Junfeng Xiao, Jianfeng Xu

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  6. Self-learning quantum Monte Carlo: Application to the classical Holstein spin-fermion model

    Physical review. B./Physical review. B · 2025-09-19

    Shaozhi Li

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