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Penghua Ying
Penghua Ying
School of Chemistry, Tel Aviv University
Verified email at tauex.tau.ac.il
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Year
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
Z Fan, Y Wang, P Ying, K Song, J Wang, Y Wang, Z Zeng, K Xu, ...
The Journal of Chemical Physics 157 (11), 2022
1752022
Thermal transport in planar sp2-hybridized carbon allotropes: A comparative study of biphenylene network, pentaheptite and graphene
P Ying, T Liang, Y Du, J Zhang, X Zeng, Z Zhong
International Journal of Heat and Mass Transfer 183, 122060, 2022
632022
Atomistic insights into the mechanical anisotropy and fragility of monolayer fullerene networks using quantum mechanical calculations and machine-learning molecular dynamics …
P Ying, H Dong, T Liang, Z Fan, Z Zhong, J Zhang
Extreme Mechanics Letters 58, 101929, 2023
502023
Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene
H Dong, C Cao, P Ying, Z Fan, P Qian, Y Su
International Journal of Heat and Mass Transfer 206, 123943, 2023
452023
Impacts of the Functional Group Substitution and Pressure on the Thermal Conductivity of ZIF-8
P Ying, J Zhang, X Zhang, Z Zhong
The Journal of Physical Chemistry C 124 (11), 6274-6283, 2020
412020
Accurate prediction of heat conductivity of water by a neuroevolution potential
K Xu, Y Hao, T Liang, P Ying, J Xu, J Wu, Z Fan
The Journal of Chemical Physics 158 (20), 2023
292023
Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials
H Dong, Y Shi, P Ying, K Xu, T Liang, Y Wang, Z Zeng, X Wu, W Zhou, ...
Journal of Applied Physics 135 (16), 2024
282024
Sub-micrometer phonon mean free paths in metal-organic frameworks revealed by machine-learning molecular dynamics simulations
P Ying, T Liang, K Xu, J Zhang, J Xu, Z Zhong, Z Fan
ACS Applied Materials & Interfaces 15 (30), 36412–36422, 2023
282023
Mechanisms of temperature-dependent thermal transport in amorphous silica from machine-learning molecular dynamics
T Liang, P Ying, K Xu, Z Ye, C Ling, Z Fan, J Xu
Physical Review B 108 (18), 184203, 2023
232023
General-purpose machine-learned potential for 16 elemental metals and their alloys
K Song, R Zhao, J Liu, Y Wang, E Lindgren, Y Wang, S Chen, K Xu, ...
Nature Communications 15 (1), 10208, 2024
212024
Pressure-induced phase transition of isoreticular MOFs: Mechanical instability due to ligand buckling
P Ying, J Zhang, Z Zhong
Microporous and Mesoporous Materials 312, 110765, 2021
192021
Effects of coating layers on the thermal transport in carbon nanotubes-based van der Waals heterostructures
P Ying, J Zhang, Y Du, Z Zhong
Carbon 176, 446-457, 2021
182021
Effects of interlayer interactions on the nanoindentation response of freely suspended multilayer gallium telluride
J Zhang, Y Zhou, P Ying, H Sun, J Zhou, T Wang, W Jie, M Kuball
Nanotechnology 31 (16), 165706, 2020
182020
Unusual deformation and fracture in gallium telluride multilayers
Y Zhou, S Zhou, P Ying, Q Zhao, Y Xie, M Gong, P Jiang, H Cai, B Chen, ...
The journal of physical chemistry letters 13 (17), 3831-3839, 2022
142022
Effects of Missing Linker Defects on the Elastic Properties and Mechanical Stability of the Metal–Organic Framework HKUST-1
B Wang, P Ying, J Zhang
The Journal of Physical Chemistry C 127 (5), 2533-2543, 2023
122023
Mechanical properties of monolayer ternary transitional metal dichalogenides MoS2xTe2 (1− x): A molecular dynamics study
P Ying, J Zhang, Z Zhong
Journal of Applied Physics 126 (21), 2019
122019
Dual effects of hetero-interfaces on phonon thermal transport across graphene/C3N lateral superlattices
X Wu, P Ying, C Li, Q Han
International Journal of Heat and Mass Transfer 201, 123643, 2023
112023
Combining the D3 dispersion correction with the neuroevolution machine-learned potential
P Ying, Z Fan
Journal of Physics: Condensed Matter 36 (12), 125901, 2023
102023
Variable thermal transport in black, blue, and violet phosphorene from extensive atomistic simulations with a neuroevolution potential
P Ying, T Liang, K Xu, J Xu, Z Fan, T Ala-Nissila, Z Zhong
International Journal of Heat and Mass Transfer 202, 123681, 2023
102023
Delamination of MoS 2/SiO 2 interfaces under nanoindentation
J Ke, P Ying, Y Du, B Zou, H Sun, J Zhang
Physical Chemistry Chemical Physics 24 (26), 15991-16002, 2022
102022
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