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20182026
most citedNeuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport

526 citations · 2k across the 23 of their papers we have counts for

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Showing 2020Show all

2 papers · 1 filter

cond-mat.stat-mech2020★ 17 cited

Interpretation of apparent thermal conductivity in finite systems from equilibrium molecular dynamics simulations

Haikuan Dong, Shiyun Xiong, Zheyong Fan +3

We propose a way to properly interpret the apparent thermal conductivity obtained for finite systems using equilibrium molecular dynamics simulations (EMD) with fixed or open bound…

cond-mat.mtrl-sci2020★ 36 cited

Thermal conductivity reduction in carbon nanotube by fullerene encapsulation: A molecular dynamics study

Haikuan Dong, Zheyong Fan, Ping Qian +2

Single-walled carbon nanotubes (SWCNTs) in their pristine form have high thermal conductivity whose further improvement has attracted a lot of interest. Some theoretical studies ha…