- Molecular dynamics simulations of thermal transport
- Effect of interfaces in thermal transport
- Thermoelectric materials
Computational prediction of lattice thermal conductivity: A comparison of molecular dynamics and Bo
Marcello Puligheddu, Yi Xia, Maria Chan and Giulia Galli . Computational prediction of lattice thermal conductivity: A comparison of molecular dynamics and Bo. Phys. Rev. Mat.. 2019. Vol. 3, Pg. 085401.
First-principles simulations of heat transport
Marcello Puligheddu, Francois Gygi, Giulia Galli. First-principles simulations of heat transport. Phys. Rev. Materials. 2017. Vol. 1, Pg. 060802(R).
