| 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 | 329 | 2015 |
| 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 | 252 | 2021 |
| 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 | 212 | 2017 |
| 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 | 198 | 2019 |
| 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 | 193 | 2022 |
| 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 | 168 | 2017 |
| 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 | 153 | 2019 |
| 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 | 153 | 2012 |
| The mechanical properties of three types of carbon allotropes J Zhao, N Wei, Z Fan, JW Jiang, T Rabczuk Nanotechnology 24 (9), 095702, 2013 | 111 | 2013 |
| Revisiting phonon-phonon scattering in single-layer graphene X Gu, Z Fan, H Bao, CY Zhao Physical Review B 100 (6), 064306, 2019 | 110 | 2019 |
| Linear scaling quantum transport methodologies Z Fan, JH Garcia, AW Cummings, JE Barrios-Vargas, M Panhans, A Harju, ... Physics Reports 903, 1-69, 2020 | 108 | 2020 |
| 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 | 105 | 2018 |
| Mechanical properties of grafold: a demonstration of strengthened graphene Y Zheng, N Wei, Z Fan, L Xu, Z Huang Nanotechnology 22 (40), 405701, 2011 | 104 | 2011 |
| Amorphized graphene: a stiff material with low thermal conductivity B Mortazavi, Z Fan, LFC Pereira, A Harju, T Rabczuk Carbon 103, 318-326, 2016 | 102 | 2016 |
| 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 | 100 | 2018 |
| Improving the accuracy of the neuroevolution machine learning potential for multi-component systems Z Fan J. Phys.: Condens. Matter 34, 125902, 2022 | 92 | 2022 |
| 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 | 81 | 2020 |
| 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 | 81 | 2019 |
| 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 | 70 | 2021 |
| 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 | 70 | 2016 |
Tapio Ala-NissilaAalto University and Loughborough UniversityVerified email at aalto.fi
