| DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models Y Zhang, H Wang, W Chen, J Zeng, L Zhang, H Wang, E Weinan Computer Physics Communications 253, 107206, 2020 | 355 | 2020 |
| δ-Phosphorene: a two dimensional material with a highly negative Poisson's ratio H Wang, X Li, P Li, J Yang Nanoscale 9 (2), 850-855, 2017 | 165 | 2017 |
| BP5 monolayer with multiferroicity and negative Poisson’s ratio: a prediction by global optimization method H Wang, X Li, J Sun, Z Liu, J Yang 2D Materials 4 (4), 045020, 2017 | 95 | 2017 |
| ψ-Phosphorene: a new allotrope of phosphorene H Wang, X Li, Z Liu, J Yang Physical Chemistry Chemical Physics 19 (3), 2402-2408, 2017 | 69 | 2017 |
| Penta-Pt 2 N 4: an ideal two-dimensional material for nanoelectronics Z Liu, H Wang, J Sun, R Sun, ZF Wang, J Yang Nanoscale 10 (34), 16169-16177, 2018 | 63 | 2018 |
| Development of a deep machine learning interatomic potential for metalloid-containing Pd-Si compounds T Wen, CZ Wang, MJ Kramer, Y Sun, B Ye, H Wang, X Liu, C Zhang, ... Physical Review B 100 (17), 174101, 2019 | 52 | 2019 |
| First-principles study of two dimensional C 3 N and its derivatives Z Chen, H Wang, ZJ Li RSC advances 10 (55), 33469-33474, 2020 | 42* | 2020 |
| Discovering rare-earth-free magnetic materials through the development of a database M Sakurai, R Wang, T Liao, C Zhang, H Sun, Y Sun, H Wang, X Zhao, ... Physical review materials 4 (11), 114408, 2020 | 26 | 2020 |
| Pressure-induced organic topological nodal-line semimetal in the three-dimensional molecular crystal Z Liu, H Wang, ZF Wang, J Yang, F Liu Physical Review B 97 (15), 155138, 2018 | 23 | 2018 |
| Crystal structure prediction of binary alloys via deep potential H Wang, Y Zhang, L Zhang, H Wang Frontiers in Chemistry 8, 589795, 2020 | 13 | 2020 |
| Anharmonic Raman spectra simulation of crystals from deep neural networks H Shang, H Wang AIP Advances 11 (033515), 1-6, 2021 | 12 | 2021 |
| Structural and electrocatalytic properties of copper clusters: A study via deep learning and first principles X Wang, H Wang, Q Luo, J Yang The Journal of Chemical Physics 157 (7), 2022 | 10 | 2022 |
| Penta-CN2 revisited: Superior stability, synthesis condition exploration, negative Poisson’s ratio and quasi-flat bands H Wang, Z Chen, Z Liu Applied Surface Science 585, 152536, 2022 | 10 | 2022 |
| Two-Dimensional Auxetic GeSe2 Material with Ferroelasticity and Flexoelectricity Z Chen, ZJ Li, H Wang The Journal of Physical Chemistry C 125 (36), 19666-19672, 2021 | 9 | 2021 |
| Crystallization of the P3Sn4 Phase upon Cooling P2Sn5 Liquid by Molecular Dynamics Simulation Using a Machine Learning Interatomic Potential C Zhang, Y Sun, HD Wang, F Zhang, TQ Wen, KM Ho, CZ Wang The Journal of Physical Chemistry C 125 (5), 3127-3133, 2021 | 8 | 2021 |
| Substantial and stable magnetoresistance and spin conductance in phosphorene-based spintronic devices with Co electrodes Z Chen, G Li, H Wang, Q Tang, ZJ Li Physical Chemistry Chemical Physics 23 (17), 10573-10579, 2021 | 6 | 2021 |
| Large tunneling magnetoresistance in spin-filtering 1T-MnSe2/h-BN van der Waals magnetic tunnel junction Z Chen, X Liu, X Li, P Gao, Z Li, W Zhu, H Wang, X Li Nanoscale, 2023 | 5 | 2023 |
| mech2d: An Efficient Tool for High-Throughput Calculation of Mechanical Properties for Two-Dimensional Materials H Wang, T Li, X Liu, W Zhu, Z Chen, Z Li, J Yang Molecules 28 (11), 4337, 2023 | 4 | 2023 |
| High-throughput computational screening for bipolar magnetic semiconductors H Wang, Q Feng, X Li, J Yang Research, 2022 | 4 | 2022 |
| Electronic, Optical, and Mechanical Properties of Diamond Nanowires Encapsulated in Carbon Nanotubes: A First-Principles View H Wang, B Li, J Yang* J. Phys. Chem. C 121 (6), 3661–3672, 2017 | 2 | 2017 |
Jinlong YangProfessor of Physical Chemistry, University of Science & Technology of ChinaVerified email at ustc.edu.cn
