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    • Accurate Description of Ion Migration in Solid-State Ion Conductors from Machine-Learning Molecular Dynamics

    Takeru Miyagawa, Namita Krishnan,Manuel Grumet, Christian Reveron Baecker,Waldemar Kaiser,David A. Egger

    Journal of Materials Chemistry A（2024）

    Tech Univ Munich

    Cited 2|Views8
    Abstract
    Machine-learning molecular dynamics provides predictions of structural and anharmonic vibrational properties of solid-state ionic conductors with ab initio accuracy. This opens a path towards rapid design of novel battery materials.
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    Key words
    Ionic Conductivity,Molecular Dynamics
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