output
19992026
most citedImplementation strategies in phonopy and phono3py

1.3k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2015Show all

2 papers · 1 filter

cond-mat.mtrl-sci2015★ 474 cited

Discovery of low thermal conductivity compounds with first-principles anharmonic lattice dynamics calculations and Bayesian optimization

Atsuto Seko, Atsushi Togo, Hiroyuki Hayashi +3

Compounds of low lattice thermal conductivity (LTC) are essential for seeking thermoelectric materials with high conversion efficiency. Some strategies have been used to decrease L…

cond-mat.mtrl-sci2015★ 113 cited

Thermal boundary conductance across rough interfaces probed by molecular dynamics

Samy Merabia, Konstantinos Termentzidis

In this article, we report the influence of the interfacial roughness on the thermal boundary conductance between two crystals, using molecular dynamics. We show evidence of a tran…