Open AccessFirst-principles simulations of heat transport
Author(s) -
Marcello Puligheddu,
François Gygi,
Giulia Galli
Publication year - 2017
Publication title -
physical review materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.439
H-Index - 42
eISSN - 2476-0455
pISSN - 2475-9953
DOI - 10.1103/physrevmaterials.1.060802
Subject(s) - molecular dynamics , thermal conductivity , materials science , computation , density functional theory , thermal , statistical physics , ab initio , chemical physics , thermodynamics , computational chemistry , computer science , physics , quantum mechanics , algorithm , chemistry , composite material