文章列表
2022
- 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), 074304 link
- High-Throughput Computational Screening for Bipolar Magnetic Semiconductors, Haidi Wang, Qingqing Feng, Xingxing Li, Jinlong Yang, Research, 2022, 9857631 link
- Penta-$CN_2$ revisited: Superior stability, synthesis condition exploration, negative Poisson’s ratio and quasi-flat bands, Haidi Wang, Zhao Chen, Zhao liu, Applied Surface Science, 2022, 142536 link
2021
- Two-Dimensional Auxetic $GeSe_2$ Material with Ferroelasticity and Flexoelectricity, Z Chen, ZJ Li, H Wang, J. Phys. Chem. C, 2021 link
- Crystallization of the $P_3Sn_4$ Phase upon Cooling $P_2Sn_5$ Liquid by Molecular Dynamics Simulation Using a Machine Learning Interatomic Potential, C Zhang, Y Sun, H Wang, F Zhang, TQ Wen, KM Ho, CZ Wang, The Journal of Physical Chemistry C 125 (5), 3127-3133 link
- 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 link
- Anharmonic Raman spectra simulation of crystals from deep neural networks, H Shang, H Wang, AIP Advances 11 (033515), 1-6 link
2020
Crystal structure prediction of binary alloys via Deep Potential,H Wang, Y Zhang, L Zhang, H Wang, Frontiers in chemistry 8, 895 link
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, et al. Physical Review Materials 4 (11), 114408 link
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 link
First-principles study of two dimensional $C_3N$ and its derivatives, Z Chen, H Wang, ZJ Li, RSC Advances 10 (55), 33469-33474 link
2019
- 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, et al. Physical Review B 100 (17), 174101 link
2018
- 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 link
- Penta-$Pt_2N_4$: an ideal two-dimensional material for nanoelectronics,Z Liu, H Wang, J Sun, R Sun, ZF Wang, J Yang, Nanoscale 10 (34), 16169-16177 link
2017
- $BP_5$ 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 link
- 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 link
- ψ-Phosphorene: a new allotrope of phosphorene, H Wang, X Li, Z Liu, J Yang, Physical Chemistry Chemical Physics 19 (3), 2402-2408 link
- 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 link
