Heat transport in silicon from first-principles calculations

Intrinsic phonon relaxation times from first-principles studies of the thermal conductivities of Si and Ge

(2010) A. Ward et al.   PHYSICAL REVIEW B

Cluster scattering effects on phonon conduction in graphene

(2010) Natalio Mingo et al.   PHYSICAL REVIEW B

Size effects in molecular dynamics thermal conductivity predictions

(2010) D. P. Sellan et al.   PHYSICAL REVIEW B

Thermal conductivity and phonon transport properties of silicon using perturbation theory and the environment-dependent interatomic potential

(2009) José A. Pascual-Gutiérrez et al.   JOURNAL OF APPLIED PHYSICS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations

(2009) J. E. Turney et al.   PHYSICAL REVIEW B

Method to extract anharmonic force constants from first principles calculations

(2008) Keivan Esfarjani et al.   PHYSICAL REVIEW B