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 | 207 | 2021 |
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 | 144 | 2022 |
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 | 131 | 2019 |
Structural characteristics and strain behavior of two-dimensional C3N: First principles calculations LB Shi, YY Zhang, XM Xiu, HK Dong Carbon 134, 103-111, 2018 | 112 | 2018 |
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 | 88 | 2018 |
Nearly deterministic preparation of the perfect state with weak cross-Kerr nonlinearities L Dong, JX Wang, QY Li, HZ Shen, HK Dong, XM Xiu, YJ Gao, CH Oh Physical Review A 93 (1), 012308, 2016 | 68 | 2016 |
First-principle study of structural, electronic, vibrational and magnetic properties of HCN adsorbed graphene doped with Cr, Mn and Fe LB Shi, YP Wang, HK Dong Applied Surface Science 329, 330-336, 2015 | 68 | 2015 |
Deterministic secure quantum communication using four-particle genuine entangled state and entanglement swapping XM Xiu, HK Dong, L Dong, YJ Gao, F Chi Optics communications 282 (12), 2457-2459, 2009 | 66 | 2009 |
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 | 44 | 2023 |
Heat transport in pristine and polycrystalline single-layer hexagonal boron nitride H Dong, P Hirvonen, Z Fan, T Ala-Nissila Physical chemistry chemical physics 20 (38), 24602-24612, 2018 | 44 | 2018 |
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 | 36 | 2023 |
First principles calculations of the interface properties of a-Al2O3/MoS2 and effects of biaxial strain LB Shi, MB Li, XM Xiu, XY Liu, KC Zhang, YH Liu, CR Li, HK Dong Journal of Applied Physics 121 (20), 2017 | 34 | 2017 |
Preparation of four-photon polarization-entangled decoherence-free states employing weak cross-Kerr nonlinearities XM Xiu, QY Li, YF Lin, HK Dong, L Dong, YJ Gao Physical Review A 94 (4), 042321, 2016 | 34 | 2016 |
Ultrahigh convergent thermal conductivity of carbon nanotubes from comprehensive atomistic modeling G Barbalinardo, Z Chen, H Dong, Z Fan, D Donadio Physical review letters 127 (2), 025902, 2021 | 33 | 2021 |
Thermal conductivity reduction in carbon nanotube by fullerene encapsulation: A molecular dynamics study H Dong, Z Fan, P Qian, T Ala-Nissila, Y Su Carbon 161, 800-808, 2020 | 29 | 2020 |
Teleportation of a general two-photon state employing a polarization-entangled state with nondemolition parity analyses L Dong, JX Wang, QY Li, HK Dong, XM Xiu, YJ Gao Quantum Information Processing 15 (7), 2955-2970, 2016 | 26 | 2016 |
Single logical qubit information encoding scheme with the minimal optical decoherence-free subsystem L Dong, JX Wang, QY Li, HZ Shen, HK Dong, XM Xiu, YJ Gao Optics Letters 41 (5), 1030-1033, 2016 | 25 | 2016 |
Polarization Toffoli gate assisted by multiple degrees of freedom L Dong, SL Wang, C Cui, X Geng, QY Li, HK Dong, XM Xiu, YJ Gao Optics Letters 43 (19), 4635-4638, 2018 | 23 | 2018 |
Nearly deterministic Fredkin gate based on weak cross-Kerr nonlinearities L Dong, YF Lin, JX Wang, QY Li, HZ Shen, HK Dong, YP Ren, XM Xiu, ... JOSA B 33 (2), 253-260, 2016 | 21 | 2016 |
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 | 20 | 2024 |