81 citations · 412 across the 20 of their papers we have counts for
Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2018
Homogeneous nonequilibrium molecular dynamics method for heat transport and spectral decomposition with many-body potentials
Zheyong Fan, Haikuan Dong, Ari Harju +1
The standard equilibrium Green-Kubo and nonequilibrium molecular dynamics (MD) methods for computing thermal transport coefficients in solids typically require relatively long simu…
cond-mat.mtrl-sci2012★ 81 cited
Accelerated molecular dynamics force evaluation on graphics processing units for thermal conductivity calculations
Zheyong Fan, Topi Siro, Ari Harju
In this paper, we develop a highly efficient molecular dynamics code fully implemented on graphics processing units for thermal conductivity calculations using the Green-Kubo formu…