526 citations · 4.4k across the 56 of their papers we have counts for
11 papers · 1 filter
Large-scale machine-learning molecular dynamics simulation of primary radiation damage in tungsten
Jiahui Liu, Jesper Byggmastar, Zheyong Fan +2
Simulating collision cascades and radiation damage poses a long-standing challenge for existing interatomic potentials, both in terms of accuracy and efficiency. Machine-learning b…
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…
Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene
Haikuan Dong, Chenyang Cao, Penghua Ying +3
Recently a novel two-dimensional (2D) C based crystal called quasi-hexagonal-phase fullerene (QHPF) has been fabricated and demonstrated to be a promising candidate for 2D e…
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…
Improving the accuracy of the neuroevolution machine learning potential for multi-component systems
Zheyong Fan
In a previous paper [Fan Z \textit{et al}. 2021 Phys. Rev. B, \textbf{104}, 104309], we developed the neuroevolution potential (NEP), a framework of training neural network based m…