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 | 175 | 2022 |
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 | 63 | 2022 |
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 | 50 | 2023 |
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 | 45 | 2023 |
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 | 41 | 2020 |
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 | 29 | 2023 |
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 | 28 | 2024 |
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 | 28 | 2023 |
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 | 23 | 2023 |
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 | 21 | 2024 |
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 | 19 | 2021 |
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 | 18 | 2021 |
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 | 18 | 2020 |
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 | 14 | 2022 |
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 | 12 | 2023 |
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 | 12 | 2019 |
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 | 11 | 2023 |
Combining the D3 dispersion correction with the neuroevolution machine-learned potential P Ying, Z Fan Journal of Physics: Condensed Matter 36 (12), 125901, 2023 | 10 | 2023 |
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 | 10 | 2023 |
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 | 10 | 2022 |