| Revealing the oxygen reduction/evolution reaction activity origin of carbon-nitride-related single-atom catalysts: quantum chemistry in artificial intelligence X Wan, W Yu, H Niu, X Wang, Z Zhang, Y Guo Chemical Engineering Journal 440, 135946, 2022 | 52 | 2022 |
| A density-functional-theory-based and machine-learning-accelerated hybrid method for intricate system catalysis X Wan, Z Zhang, W Yu, Y Guo Materials Reports: Energy 1 (3), 100046, 2021 | 39 | 2021 |
| Machine-learning-assisted discovery of highly efficient high-entropy alloy catalysts for the oxygen reduction reaction X Wan, Z Zhang, W Yu, H Niu, X Wang, Y Guo Patterns 3 (9), 2022 | 36 | 2022 |
| Machine learning paves the way for high entropy compounds exploration: challenges, progress, and outlook X Wan, Z Li, W Yu, A Wang, X Ke, H Guo, J Su, L Li, Q Gui, S Zhao, ... Advanced Materials, 2305192, 2023 | 24 | 2023 |
| High-throughput screening of gas sensor materials for decomposition products of eco-friendly insulation medium by machine learning X Wan, W Yu, A Wang, X Wang, J Robertson, Z Zhang, Y Guo ACS sensors 8 (6), 2319-2330, 2023 | 22 | 2023 |
| Machine‐learning‐based interatomic potentials for advanced manufacturing W Yu, C Ji, X Wan, Z Zhang, J Robertson, S Liu, Y Guo International Journal of Mechanical System Dynamics 1 (2), 159-172, 2021 | 17 | 2021 |
| Quantum transport of sub-5 nm InSe and In 2 SSe monolayers and their heterostructure transistors H Guo, Y Yin, W Yu, J Robertson, S Liu, Z Zhang, Y Guo Nanoscale 15 (7), 3496-3503, 2023 | 10 | 2023 |
| Active Learning the High-Dimensional Transferable Hubbard U and V Parameters in the DFT + U + V Scheme W Yu, Z Zhang, X Wan, H Guo, Q Gui, Y Peng, Y Li, W Fu, D Lu, Y Ye, ... Journal of Chemical Theory and Computation 19 (18), 6425-6433, 2023 | 7 | 2023 |
| Theoretical insights into the interface properties of hydrogen-terminated and oxidized silicon-terminated diamond field-effect transistors with h-BeO gate dielectric Q Gui, W Yu, C Cheng, H Guo, X Zha, J Robertson, S Liu, Z Zhang, Y Guo IEEE Transactions on Electron Devices, 2023 | 5 | 2023 |
| Theoretical predictions of the structural stability and property contrast for Sb-rich Ge3Sb6Te5 phase-change materials J Su, Z Zhang, X Wan, W Yu, A Wang, H Zhong, J Robertson, Y Guo Applied Physics Letters 122 (25), 2023 | 5 | 2023 |
| The Application of Multi-scale Simulation in Advanced Electronic Packaging W Yu, S Cheng, Z Li, L Liu, Z Zhang, Y Zhao, Y Guo, S Liu Fundamental Research, 2024 | 3 | 2024 |
| High-throughput interface prediction and generation scheme: The case of β-Ga2O3/AlN interfaces W Yu, Q Gui, X Wan, J Robertson, Z Zhang, Y Guo Applied Physics Letters 123 (16), 2023 | 3 | 2023 |
| Quantum transport in WSe2/SnSe2 tunneling field effect transistors with high-k gate dielectrics H Guo, Z Zhang, C Shao, W Yu, Q Gui, P Liu, H Zhong, R Cao, ... Journal of Materials Science & Technology 201, 149-156, 2024 | 2 | 2024 |
| High-Accuracy Machine-Learned Interatomic Potentials for the Phase Change Material Ge3Sb6Te5 W Yu, Z Zhang, X Wan, J Su, Q Gui, H Guo, H Zhong, J Robertson, Y Guo Chemistry of Materials 35 (17), 6651-6658, 2023 | 2 | 2023 |
| Origin of two-dimensional hole gas at the hydrogen-terminated diamond surfaces: Negative interface valence-induced upward band bending Q Gui, W Yu, C Cheng, H Guo, X Zha, R Cao, H Zhong, J Robertson, S Liu, ... Journal of Materials Science & Technology 207, 76-85, 2025 | 1 | 2025 |
郭宇铮Yuzheng Guo武汉大学Wuhan UniversityAdresse e-mail validée de whu.edu.cn
