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cond-mat.stat-mech2018
Theory and numerical simulation of heat transport in multi-component systems
Riccardo Bertossa, Federico Grasselli, Loris Ercole +1
The thermal conductivity of classical multi-component fluids is seemingly affected by the intrinsic arbitrariness in the definition of the atomic energies and it is ill-conditioned…
cond-mat.stat-mech2018
Heat transport in insulators from ab initio Green-Kubo theory
Stefano Baroni, Riccardo Bertossa, Loris Ercole +2
The Green-Kubo theory of thermal transport has long be considered incompatible with modern simulation methods based on electronic-structure theory, because it is based on such conc…