| MatCloud: A high-throughput computational infrastructure for integrated management of materials simulation, data and resources X Yang, Z Wang, X Zhao, J Song, M Zhang, H Liu Computational Materials Science 146, 319-333, 2018 | 63 | 2018 |
| Experimental and theoretical investigation of Na4MnAl (PO4) 3 cathode material for sodium-ion batteries Q Wang, C Ling, J Li, H Gao, Z Wang, H Jin Chemical Engineering Journal 425, 130680, 2021 | 45 | 2021 |
| W Doping and Voltage Driven Metal–Insulator Transition in VO2 Nano-Films for Smart Switching Devices C Ling, Z Zhao, X Hu, J Li, X Zhao, Z Wang, Y Zhao, H Jin ACS Applied Nano Materials 2 (10), 6738-6746, 2019 | 41 | 2019 |
| Lu–H–N phase diagram from first-principles calculations F Xie, T Lu, Z Yu, Y Wang, Z Wang, S Meng, M Liu Chinese Physics Letters 40 (5), 057401, 2023 | 37 | 2023 |
| Fluorine adsorption on the graphene films: from metal to insulator Z Wang, S Qin, C Wang, Q Hui Computational Materials Science 97, 14-19, 2015 | 24 | 2015 |
| New methods for prediction of elastic constants based on density functional theory combined with machine learning J Wang, X Yang, Z Zeng, X Zhang, X Zhao, Z Wang Computational Materials Science 138, 135-148, 2017 | 22 | 2017 |
| Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms Z Wang, S Qin, C Wang The European Physical Journal B 87, 1-6, 2014 | 20 | 2014 |
| Regulating Na/NASCION electrolyte interface chemistry for stable solid-state Na metal batteries at room temperature D Li, C Sun, C Wang, J Li, Z Wang, H Jin Energy Storage Materials 54, 403-409, 2023 | 16 | 2023 |
| Hole Dopants Disentangling Peierls–Mott Relevance States of VO2 by First-Principles Calculation C Ling, Q Wang, X Wang, Z Zhao, Z Wang, J Li, Y Zhao, H Jin The Journal of Physical Chemistry C 125 (10), 5816-5823, 2021 | 16 | 2021 |
| A universal model for accurately predicting the formation energy of inorganic compounds Y Liang, M Chen, Y Wang, H Jia, T Lu, F Xie, G Cai, Z Wang, S Meng, ... Science China Materials 66 (1), 343-351, 2023 | 14 | 2023 |
| MatCloud, a high-throughput computational materials infrastructure: Present, future visions, and challenges X Yang, Z Wang, X Zhao, J Song, C Yu, J Zhou, K Li Chinese Physics B 27 (11), 110301, 2018 | 10 | 2018 |
| A repository for the publication and sharing of heterogeneous materials data H Gong, J He, X Zhang, L Duan, Z Tian, W Zhao, F Gong, T Liu, Z Wang, ... Scientific Data 9 (1), 787, 2022 | 7 | 2022 |
| Neural network training method for materials science based on multi-source databases J Guo, Z Chen, Z Liu, X Li, Z Xie, Z Wang, Y Wang Scientific Reports 12 (1), 15326, 2022 | 7 | 2022 |
| Mechanical properties of zirconium-based random alloys: Alloying elements and composition dependencies S Huang, Y Zhang, X Zhang, Z Wang, X Yang, Z Zeng Computational Materials Science 127, 60-66, 2017 | 7 | 2017 |
| An integrated high-throughput computational material platform X YANG, J WANG, J REN, J SONG, Z WANG, Z ZENG, X ZHANG, ... Chinese Journal of Computational Physics 34 (6), 697, 2017 | 6 | 2017 |
| Error estimation in high-throughput density functional theory calculation for material property: elastic constants of cubic binary alloy case J Wang, X Yang, G Wang, J Ren, Z Wang, X Zhao, Y Pan Computational Materials Science 134, 190-200, 2017 | 6 | 2017 |
| First-principle study of the effects of Nb and Ti doping on the dehydrogenation properties of Ca (BH4) 2 Z Wang, Q Hui, C Wang, N Cheng Computational materials science 50 (11), 3114-3118, 2011 | 6 | 2011 |
| A parameter description method and specification of integrated LAMMPS molecular dynamics software [J] Y Chao, Y Xiaoyu, Z Xushan, W Zongguo Information Technology and Application in Scientific Research 9 (04), 3-14, 2018 | 5 | 2018 |
| Substrate-Mediated Borophane Polymorphs through Hydrogenation of Two-Dimensional Boron Sheets Y Kang, X Ma, J Fu, K Yang, Z Wang, H Li, W Ma, J Zhang The Journal of Physical Chemistry Letters 13 (43), 10222-10229, 2022 | 4 | 2022 |
| Similarity analysis of knowledge graph-based company embedding for stocks portfolio B Zhang, Z Li, C Yang, Z Wang, Y Zhao, J Sun, L Wang 2021 IEEE 6th International Conference on Smart Cloud (SmartCloud), 84-89, 2021 | 4 | 2021 |
