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Constant-Current Nonequilibrium Molecular Dynamics Approach for Accelerated Computation of Ionic Conductivity Including Ion-Ion Correlation

非平衡理論を駆使しイオン伝導度計算の高速高精度化に成功

 ▶共同発表:非平衡理論を駆使しイオン伝導度計算の高速高精度化に成功~次世代電池材料の開発を加速~

*R. Sasaki, Y. Tateyama, D. J. Searles, PRX Energy. 4,013005_1-12 (2025) "Constant-Current Nonequilibrium Molecular Dynamics Approach for Accelerated Computation of Ionic Conductivity Including Ion-Ion Correlation"   

DOI: 10.1103/PRXEnergy.4.013005

 

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