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Shinnosuke Hattori

affiliation not provided to SSRN

  • affiliation not provided to SSRN

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Thermal Conductivity Calculation Using Homogeneous Non-Equilibrium Molecular Dynamics Simulation with Allegro

Number of pages: 26 Posted: 08 May 2024
Kohei Shimamura, Shinnosuke Hattori, Ken-ichi Nomura, Akihide Koura and Fuyuki Shimojo
Kumamoto University, affiliation not provided to SSRN, University of Southern California, Kumamoto University and Kumamoto University
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Abstract:

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Machine-learning interatomic potential (MLIP), Allegro, Thermal conductivity, Homogeneous non-equilibrium molecular dynamics (HNEMD), Spectral heat current (SHC), First-principles molecular dynamics (FPMD)