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 | 129 | 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 | 56 | 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 | 40 | 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 | 36 | 2020 |
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 | 33 | 2023 |
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 | 23 | 2023 |
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 | 20 | 2023 |
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 | 17 | 2021 |
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 | 17 | 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 | 17 | 2020 |
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 | 12 | 2023 |
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 | 12 | 2022 |
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 |
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 | 10 | 2024 |
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 |
Effects of cell defects on the mechanical and thermal properties of carbon honeycombs JZ Y Du, J Zhou, P Ying Computational Materials Science 187, 110125, 2021 | 10 | 2021 |
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 | 9 | 2023 |
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 | 9 | 2023 |
Modeling of load responses and aging of high strength fibers considering UV-radiation H Song, P Ying, P Zhu, Y Zhou, Z Zhong Composites Science and Technology 231, 109806, 2023 | 9 | 2023 |
Prediction and optimization of the thermal transport in hybrid carbon-boron nitride honeycombs using machine learning Y Du, P Ying, J Zhang Carbon 184, 492-503, 2021 | 9 | 2021 |