Haikuan Dong

Correcting force error-induced underestimation of lattice thermal conductivity in machine learning molecular dynamics.

Haikuan Dong, Zheyong Fan, Penghua Ying, 2024, Journal of Chemical Physics.

Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials

Ke Xu, Zheyong Fan, Ting Liang, 2024, Journal of Applied Physics.