“…1,2 The advantage of this approach is that only the phononic transport is deteriorated, while the electronic transport stays practically unaffected. 3,4 The thermal conductivity of Si predicted by molecular dynamics (MD) as function of sample length, 5 sample cross section, 6 and isotopic composition 6,7 have already been studied extensively. In addition, two common approaches for thermal conductivity predictions by MD, namely, GreenKubo (GK) and non-equilibrium MD (NEMD) have been compared.…”