Long Time Scale Molecular Dynamics Simulation of Magnesium Hydride Dehydrogenation Enabled by Machine Learning Interatomic Potentials.

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作者： Oliver,Morrison ^[1] ; Elena,Uteva ^[1] ; Gavin S,Walker ^[2] ; David M,Grant ^[1] ; Sanliang,Ling ^[1]

作者单位： Advanced Materials Research Group, Faculty of Engineering, University of Nottingham, Nottingham NG7 2RD, United Kingdom. ^[1] Aria Sustainability Ltd., Unit 7, Wheatcroft Business Park, Landmere Lane, Edwalton, Nottingham NG12 4DG, United Kingdom. ^[2]

DOI 10.1021/acsaem.4c02627

PMID 39822963

发布时间 2025-01-19

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ACS applied energy materials

2025年8卷1期

492-502页

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Long Time Scale Molecular Dynamics Simulation of Magnesium Hydride Dehydrogenation Enabled by Machine Learning Interatomic Potentials.

ACS applied energy materials

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ACS applied energy materials

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Long Time Scale Molecular Dynamics Simulation of Magnesium Hydride Dehydrogenation Enabled by Machine Learning Interatomic Potentials.

ACS applied energy materials

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ACS applied energy materials

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