upward

Thermal conduction

L Lindsay, A Katre, A Cepellotti, N Mingo, Perspective on ab initio phonon thermal transport, JAP 126, 050902 (2019)

A McGaughey, A Jain, H Kim, Phonon properties and thermal conductivity from first principles, lattice dynamics, and the Boltzmann transport equation, JAP 125, 011101 (2019)


F Knoop, M Scheffler, C Carbogno, Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation, PRB 107, 224304 (2023) – doi

D A Broido, M Malorny, G Birner, N Mingo, D A Stewart, Intrinsic lattice thermal conductivity of semiconductors from first principles, APL 91, 231922 (2007)