most citedComparison of the Green-Kubo and homogeneous non-equilibrium molecular dynamics methods for calculating thermal conductivity

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cond-mat.mtrl-sci2017★ 36 cited

Comparison of the Green-Kubo and homogeneous non-equilibrium molecular dynamics methods for calculating thermal conductivity

Bonny Dongre, Tao Wang, Georg K. H. Madsen

Different molecular dynamics methods like the direct method, the Green-Kubo (GK) method and homogeneous non-equilibrium molecular dynamics (HNEMD) method have been widely used to c…