| The principal component analysis of the ring deformation in the nonadiabatic surface hopping dynamics Y Zhu, J Peng, X Kang, C Xu, Z Lan Physical Chemistry Chemical Physics 24 (39), 24362-24382, 2022 | 7 | 2022 |
| Influence of Mode-Specific Excitation on the Nonadiabatic Dynamics of Methyl Nitrate (CH3ONO2) J Zhang, J Peng, Y Zhu, D Hu, Z Lan The Journal of Physical Chemistry Letters 14 (29), 6542-6549, 2023 | 6 | 2023 |
| Unsupervised Machine Learning in the Analysis of Nonadiabatic Molecular Dynamics Simulation Y Zhu, J Peng, C Xu, Z Lan The Journal of Physical Chemistry Letters 15 (38), 9601-9619, 2024 | 3 | 2024 |
| Analysis of nonadiabatic molecular dynamics trajectories Y Zhu, J Peng, H Liu, Z Lan Quantum Chemistry in the Age of Machine Learning, 619-651, 2023 | 2 | 2023 |
| Machine learning approaches for cancer bone segmentation from micro computed tomography images Y Zhu, AC Green, L Guo, HR Evans, L Mihaylova 2020 IEEE 23rd International Conference on Information Fusion (FUSION), 1-6, 2020 | 2 | 2020 |
| Quantum chemistry dataset with ground-and excited-state properties of 450 kilo molecules Y Zhu, M Li, C Xu, Z Lan Scientific Data 11 (1), 948, 2024 | 1 | 2024 |
| QCDGE database, Quantum Chemistry Database with Ground-and Excited-state Properties of 450 Kilo Molecules Y Zhu, M Li, C Xu, Z Lan arXiv preprint arXiv:2406.02341, 2024 | 1 | 2024 |
| The Effects of Methoxylated Isoindigo on the Optical and Charge Transport Properties of the Corresponding Polymers Z Xiong, W Wen, Y Zhu, Y Mu, Z Zhao, Z Lan, X Wan, Y Liu Macromolecular Materials and Engineering 308 (7), 2200688, 2023 | 1 | 2023 |
| On-the-fly simulations of transient absorption pump-probe spectra: combining mapping dynamics with doorway-window protocol Z Li, J Peng, Y Zhu, C Xu, MF Gelin, FL Gu, Z Lan | | 2024 |
| The simulation of the femtosecond transient absorption pump-probe spectroscopy under the framework of on-the-fly symmetrical quasi-classical/Meyer-Miller dynamics Z Li, J Peng, Y Zhu, C Xu, MF Gelin, FL Gu, Z Lan | | 2024 |
| On-the-fly nonadiabatic dynamics of caffeic acid sunscreen compound X Kang, Y Zhu, J Zhang, C Xu, Z Lan Chinese Journal of Chemical Physics 36 (5), 561-572, 2023 | | 2023 |
