| Increased activity in the oxygen evolution reaction by Fe 4+-induced hole states in perovskite La 1− x Sr x FeO 3 Z Shen, Y Zhuang, W Li, X Huang, FE Oropeza, EJM Hensen, ... Journal of Materials Chemistry A 8 (8), 4407-4415, 2020 | 92 | 2020 |
| Uncertainty estimation for molecular dynamics and sampling G Imbalzano, Y Zhuang, V Kapil, K Rossi, EA Engel, F Grasselli, M Ceriotti The Journal of Chemical Physics 154 (7), 074102, 2021 | 72 | 2021 |
| Recent progress toward ab Initio modeling of electrocatalysis JB Le, XH Yang, YB Zhuang, M Jia, J Cheng The Journal of Physical Chemistry Letters 12 (37), 8924-8931, 2021 | 30 | 2021 |
| Narcissistic chiral self-sorting of molecular face-rotating polyhedra X Wang, P Peng, W Xuan, Y Wang, Y Zhuang, Z Tian, X Cao Organic & biomolecular chemistry 16 (1), 34-37, 2018 | 27 | 2018 |
| Interconversion of molecular face-rotating polyhedra through turning inside out Y Wang, H Fang, W Zhang, Y Zhuang, Z Tian, X Cao Chemical Communications 53 (64), 8956-8959, 2017 | 25 | 2017 |
| Resolving the odd–even oscillation of water dissociation at rutile TiO2(110)–water interface by machine learning accelerated molecular dynamics YB Zhuang, RH Bi, J Cheng The Journal of Chemical Physics 157 (16), 164701, 2022 | 19 | 2022 |
| Recent progress on multiscale modeling of electrochemistry XH Yang, YB Zhuang, JX Zhu, JB Le, J Cheng Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (1), e1559, 2022 | 17 | 2022 |
| Molecular insight into the GaP (110)–water interface using machine learning accelerated molecular dynamics XT Fan, XJ Wen, YB Zhuang, J Cheng Journal of Energy Chemistry 82, 239-247, 2023 | 11 | 2023 |
| Band Alignments of Metal/Oxides-Water Interfaces Using Ab Initio Molecular Dynamics YB Zhuang, J Cheng Journal of Electrochemistry 29 (7), 3, 2023 | 5 | 2023 |
| Deciphering the anomalous acidic tendency of terminal water at rutile (110)–water interfaces YB Zhuang, J Cheng The Journal of Physical Chemistry C 127 (22), 10532-10540, 2023 | 4 | 2023 |
| Uncertainty estimation by committee models for molecular dynamics and thermodynamic averages G Imbalzano, Y Zhuang, V Kapil, K Rossi, EA Engel, F Grasselli, M Ceriotti arXiv preprint arXiv:2011.08828, 30-35, 2020 | 4 | 2020 |
| ChecMatE: A workflow package to automatically generate machine learning potentials and phase diagrams for semiconductor alloys YX Guo, YB Zhuang, J Shi, J Cheng The Journal of Chemical Physics 159 (9), 2023 | 3 | 2023 |
| Step-induced double-row pattern of interfacial water on rutile TiO2 (110) at electrochemical conditions Y Sun, CR Wu, F Wang, RH Bi, YB Zhuang, S Liu, MS Chen, KHL Zhang, ... | 2 | 2023 |
| Ab initio modeling of electrochemical interfaces and determination of electrode potentials JB Le, XH Yang, YB Zhuang, F Wang, J Cheng Atomic‐Scale Modelling of Electrochemical Systems, 173-200, 2021 | 2 | 2021 |
| Ab Initio Modeling of Semiconductor-Water Interfaces JQ Li, XJ Wen, M Jia, YB Zhuang, X Zhang, JB Le, J Cheng Springer Handbook of Inorganic Photochemistry, 399-422, 2022 | | 2022 |
Jun Cheng (程俊）Xiamen UniversityVerified email at xmu.edu.cn
