138 citations · 638 across the 15 of their papers we have counts for
3 papers · 1 filter
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…
Accurate thermal conductivities from optimally short molecular dynamics simulations
Loris Ercole, Aris Marcolongo, Stefano Baroni
The evaluation of transport coefficients in extended systems, such as thermal conductivity or shear viscosity, is known to require impractically long simulations, thus calling for…
Gauge invariance of thermal transport coefficients
Loris Ercole, Aris Marcolongo, Paolo Umari +1
Thermal transport coefficients are independent of the specific microscopic expression for the energy density and current from which they can be derived through the Green-Kubo formu…