| Ultra-fast and accurate binding energy prediction of shuttle effect-suppressive sulfur hosts for lithium-sulfur batteries using machine learning H Zhang, Z Wang, J Ren, J Liu, J Li Energy Storage Materials 35, 88-98, 2021 | 50 | 2021 |
| Accelerated discovery of stable spinels in energy systems via machine learning Z Wang, H Zhang, J Li Nano Energy 81, 105665, 2021 | 44 | 2021 |
| Engineering early prediction of supercapacitors’ cycle life using neural networks J Ren, X Lin, J Liu, T Han, Z Wang, H Zhang, J Li Materials Today Energy 18, 100537, 2020 | 41 | 2020 |
| Potential inhibitors for the novel coronavirus (SARS-CoV-2) Y Han, Z Wang, J Ren, Z Wei, J Li Briefings in Bioinformatics 22 (2), 1225-1231, 2021 | 37 | 2021 |
| Deep learning for ultra-fast and high precision screening of energy materials Z Wang, Q Wang, Y Han, Y Ma, H Zhao, A Nowak, J Li Energy Storage Materials 39, 45-53, 2021 | 36 | 2021 |
| Combining the fragmentation approach and neural network potential energy surfaces of fragments for accurate calculation of protein energy Z Wang, Y Han, J Li, X He The Journal of Physical Chemistry B 124 (15), 3027-3035, 2020 | 35 | 2020 |
| A machine learning shortcut for screening the spinel structures of Mg/Zn ion battery cathodes with a high conductivity and rapid ion kinetics J Cai, Z Wang, S Wu, Y Han, J Li Energy Storage Materials 42, 277-285, 2021 | 34 | 2021 |
| Machine learning accelerates quantum mechanics predictions of molecular crystals Y Han, I Ali, Z Wang, J Cai, S Wu, J Tang, L Zhang, J Ren, R Xiao, Q Lu, ... Physics Reports 934, 1-71, 2021 | 32 | 2021 |
| Machine-learning-enabled tricks of the trade for rapid host material discovery in Li–S battery H Zhang, Z Wang, J Cai, S Wu, J Li ACS applied materials & interfaces 13 (45), 53388-53397, 2021 | 30 | 2021 |
| Predicting adsorption ability of adsorbents at arbitrary sites for pollutants using deep transfer learning Z Wang, H Zhang, J Ren, X Lin, T Han, J Liu, J Li npj Computational Materials 7 (1), 19, 2021 | 29 | 2021 |
| Deep learning accelerates the discovery of two‐dimensional catalysts for hydrogen evolution reaction S Wu, Z Wang, H Zhang, J Cai, J Li Energy & Environmental Materials 6 (1), e12259, 2023 | 27 | 2023 |
| Binder-free S@Ti3C2Tx sandwich structure film as a high-capacity cathode for a stable aluminum-sulfur battery X Zheng, Z Wang, J Li, L Wei Science China Materials 65 (6), 1463-1475, 2022 | 26 | 2022 |
| Binding affinity and mechanisms of SARS-CoV-2 variants Y Han, Z Wang, Z Wei, I Schapiro, J Li Computational and structural biotechnology journal 19, 4184-4191, 2021 | 25 | 2021 |
| A metal organic foam-derived zinc cobalt sulfide with improved binding energies towards polysulfides for lithium–sulfur batteries H Zhang, J Liu, X Lin, Y Zhong, J Ren, Z Wang, T Han, J Li Ceramics International 46 (9), 14056-14063, 2020 | 24 | 2020 |
| Harnessing artificial intelligence to holistic design and identification for solid electrolytes Z Wang, X Lin, Y Han, J Cai, S Wu, X Yu, J Li Nano Energy 89, 106337, 2021 | 23 | 2021 |
| Unsupervised discovery of thin-film photovoltaic materials from unlabeled data Z Wang, J Cai, Q Wang, SC Wu, J Li npj Computational Materials 7 (1), 128, 2021 | 22 | 2021 |
| An ensemble learning platform for the large-scale exploration of new double perovskites Z Wang, Y Han, X Lin, J Cai, S Wu, J Li ACS Applied Materials & Interfaces 14 (1), 717-725, 2021 | 20 | 2021 |
| Vision for energy material design: a roadmap for integrated data-driven modeling Z Wang, Y Han, J Cai, A Chen, J Li Journal of Energy Chemistry 71, 56-62, 2022 | 17 | 2022 |
| Machine learning builds full-QM precision protein force fields in seconds Y Han, Z Wang, Z Wei, J Liu, J Li Briefings in Bioinformatics 22 (6), bbab158, 2021 | 16 | 2021 |
| Unraveling the Anchoring Effect of MXene-Supported Single Atoms as Cathodes for Aluminum–Sulfur Batteries Z Wang, X Zheng, A Chen, Y Han, L Wei, J Li ACS Materials Letters 4 (8), 1436-1445, 2022 | 15 | 2022 |
