463 citations · 555 across the 10 of their papers we have counts for
5 papers · 1 filter
Accurate prediction of heat conductivity of water by a neuroevolution potential
Ke Xu, Yongchao Hao, Ting Liang +4
We propose an approach that can accurately predict the heat conductivity of liquid water. On the one hand, we develop an accurate machine-learned potential based on the neuroevolut…
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
Zheyong Fan, Yanzhou Wang, Penghua Ying +17
We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in [Fan et al., Phys. Rev. B 104, 104309 (2…
Variable thermal transport in black, blue, and violet phosphorene from extensive atomistic simulations with a neuroevolution potential
Penghua Ying, Ting Liang, Ke Xu +6
Phosphorus has diverse chemical bonds and even in its two-dimensional form there are three stable allotropes: black phosphorene (Black-P), blue phosphorene (Blue-P), and violet pho…
Abnormally High Thermal Conductivity in Fivefold Twinned Diamond Nanowires
Ting Liang, Ke Xu, Meng Han +5
Fivefold twins (5FTs), discovered nearly 200 years ago, are a common multiply twinned structure that usually dramatically deteriorate the thermal transport properties of nanomateri…
Tensile properties of structural I clathrate hydrates:Role of guest-host hydrogen bonding ability
Yue Xin, Qiao Shi, Ke Xu +2
Clathrate hydrates (CHs) are one of the most promising molecular structures in applications of gas capture and storage, and gas separations. Fundamental knowledge of mechanical cha…