Zheyong Fan

GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations

Zheyong Fan, Yanzhou Wang, Penghua Ying et al. · The Journal of Chemical Physics · 2022 · 345 citations · Full text

Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations

Zheyong Fan, Luiz Felipe C. Pereira, Hui‐Qiong Wang et al. · Physical Review B · 2015 · 309 citations · Full text

Engineering, Material Simulation, Computational Chemistry +18

Efficient molecular dynamics simulations with many-body potentials on graphics processing units

Zheyong Fan, Wei Chen, Ville Vierimaa et al. · Computer Physics Communications · 2017 · 280 citations · Full text

Engineering, Many-body Potentials, Physics +13

Homogeneous nonequilibrium molecular dynamics method for heat transport and spectral decomposition with many-body potentials

Zheyong Fan, Haikuan Dong, Ari Harju et al. · Physical review. B./Physical review. B · 2019 · 220 citations · Full text

Engineering, Computational Chemistry, Molecular Dynamics +24

Thermal conductivity decomposition in two-dimensional materials: Application to graphene

Zheyong Fan, Luiz Felipe C. Pereira, Petri Hirvonen et al. · Physical review. B./Physical review. B · 2017 · 170 citations · Full text