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Zheyong Fan
Zheyong Fan
Bohai University
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Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations
Z Fan, LFC Pereira, HQ Wang, JC Zheng, D Donadio, A Harju
Physical Review B 92 (9), 094301, 2015
3212015
Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport
Z Fan, Z Zeng, C Zhang, Y Wang, K Song, H Dong, Y Chen, T Ala-Nissila
Physical Review B 104 (10), 104309, 2021
2332021
Efficient molecular dynamics simulations with many-body potentials on graphics processing units
Z Fan, W Chen, V Vierimaa, A Harju
Computer Physics Communications 218, 10-16, 2017
2082017
Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids
Z Li, S Xiong, C Sievers, Y Hu, Z Fan, N Wei, H Bao, S Chen, D Donadio, ...
The Journal of chemical physics 151 (23), 2019
1902019
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, ...
J. Chem. Phys. 157, 114801, 2022
1752022
Thermal conductivity decomposition in two-dimensional materials: Application to graphene
Z Fan, LFC Pereira, P Hirvonen, MM Ervasti, KR Elder, D Donadio, ...
Physical Review B 95 (14), 144309, 2017
1702017
Graphene-nanotube 3D networks: intriguing thermal and mechanical properties
L Xu, N Wei, Y Zheng, Z Fan, HQ Wang, JC Zheng
Journal of Materials Chemistry 22 (4), 1435-1444, 2012
1512012
Homogeneous nonequilibrium molecular dynamics method for heat transport and spectral decomposition with many-body potentials
Z Fan, H Dong, A Harju, T Ala-Nissila
Physical Review B 99 (6), 064308, 2019
1402019
The mechanical properties of three types of carbon allotropes
J Zhao, N Wei, Z Fan, JW Jiang, T Rabczuk
Nanotechnology 24 (9), 095702, 2013
1112013
Linear scaling quantum transport methodologies
Z Fan, JH Garcia, AW Cummings, JE Barrios-Vargas, M Panhans, A Harju, ...
Physics Reports 903, 1-69, 2020
1082020
Revisiting phonon-phonon scattering in single-layer graphene
X Gu, Z Fan, H Bao, CY Zhao
Physical Review B 100 (6), 064306, 2019
1072019
N-graphdiyne two-dimensional nanomaterials: Semiconductors with low thermal conductivity and high stretchability
B Mortazavi, M Makaremi, M Shahrokhi, Z Fan, T Rabczuk
Carbon 137, 57-67, 2018
1052018
Mechanical properties of grafold: a demonstration of strengthened graphene
Y Zheng, N Wei, Z Fan, L Xu, Z Huang
Nanotechnology 22 (40), 405701, 2011
1042011
Amorphized graphene: a stiff material with low thermal conductivity
B Mortazavi, Z Fan, LFC Pereira, A Harju, T Rabczuk
Carbon 103, 318-326, 2016
1022016
Equivalence of the equilibrium and the nonequilibrium molecular dynamics methods for thermal conductivity calculations: From bulk to nanowire silicon
H Dong, Z Fan, L Shi, A Harju, T Ala-Nissila
Physical Review B 97 (9), 094305, 2018
952018
Improving the accuracy of the neuroevolution machine learning potential for multi-component systems
Z Fan
J. Phys.: Condens. Matter 34, 125902, 2022
892022
Unification of nonequilibrium molecular dynamics and the mode-resolved phonon Boltzmann equation for thermal transport simulations
Y Hu, T Feng, X Gu, Z Fan, X Wang, M Lundstrom, SS Shrestha, H Bao
Physical Review B 101 (15), 155308, 2020
802020
Thermal transport in from molecular dynamics using different empirical potentials
K Xu, AJ Gabourie, A Hashemi, Z Fan, N Wei, AB Farimani, HP Komsa, ...
Physical Review B 99 (5), 054303, 2019
792019
Multiscale modeling of polycrystalline graphene: A comparison of structure and defect energies of realistic samples from phase field crystal models
P Hirvonen, MM Ervasti, Z Fan, M Jalalvand, M Seymour, S Allaei, ...
Physical Review B 94 (3), 035414, 2016
702016
Thermal conductivity prediction by atomistic simulation methods: Recent advances and detailed comparison
X Gu, Z Fan, H Bao
Journal of Applied Physics 130 (21), 2021
662021
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