Zheng Zhong

Prof. Dr. Zheng Zhong


Research Focus & Metrics

Academic Career Length

34Years (1993-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

View All Publications
20 September 2022 in The Journal of Chemical Physics
Verified
Journal Article
Closed access
PDF file
Zheyong FanZheyong Fan
Zheyong Fan
YWYanzhou Wang
Yanzhou Wang
PYPenghua Ying
Penghua Ying
KSKeke Song
Keke Song
JWJunjie Wang
Junjie Wang
Tapio Ala-NissiläTapio Ala-Nissilä
Tapio Ala-Nissilä
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 (2021)] and their implementation in the open-source package gpumd. We increase the accuracy of NEP models both by improving the radial functions in the atomic-environment descriptor using a linear combination of Chebyshev basis functions and by extending the angular descriptor with some four-body and five-body contributions as in the atomic cluster expansion approach. We also detail our efficient implementation of the NEP approach in graphics processing units as well as our workflow for the construction of NEP models and demonstrate their application in large-scale atomistic simulations. By comparing to state-of-the-art MLPs, we show that the NEP approach not only achieves above-average accuracy but also is far more computationally efficient. These results demonstrate that the gpumd package is a promising tool for solving challenging problems requiring highly accurate, large-scale atomistic simulations. To enable the construction of MLPs using a minimal training set, we propose an active-learning scheme based on the latent space of a pre-trained NEP model. Finally, we introduce three separate Python packages, viz., gpyumd, calorine, and pynep, that enable the integration of gpumd into Python workflows.

21 November 2022 in Extreme Mechanics Letters
Verified
Journal Article
Closed access
PYPenghua Ying
Penghua Ying
HDHaikuan Dong
Haikuan Dong
TLTing Liang
Ting Liang
ZFZheyong Fan
Zheyong Fan
ZZZheng Zhong
Zheng Zhong
JZJin Zhang
Jin Zhang

23 July 2023 in ACS Applied Materials & Interfaces
Verified
Journal Article
Closed access
PYPenghua Ying
Penghua Ying
TLTing Liang
Ting Liang
KXKe Xu
Ke Xu
JZJin Zhang
Jin Zhang
Jian-Bin XuJian-Bin Xu
Jian-Bin Xu
Zheyong FanZheyong Fan
Zheyong Fan

27 February 2020 in The Journal of Physical Chemistry C
Verified
Journal Article
Closed access
PYPenghua Ying
Penghua Ying
JZJin Zhang
Jin Zhang
XZXu Zhang
Xu Zhang
ZZZheng Zhong
Zheng Zhong

1 June 2020 in International Journal of Solids and Structures
Verified
Journal Article
Closed access
PZPingping Zhu
Pingping Zhu
ZZZheng Zhong
Zheng Zhong

1 August 2020 in Journal of Manufacturing Processes
Verified
Journal Article
Closed access
SYShaohua Yan
Shaohua Yan
Qinghua QinQinghua Qin
Qinghua Qin
HCHui Chen
Hui Chen
ZZZheng Zhong
Zheng Zhong