| Effectively improving the accuracy of PBE functional in calculating the solid band gap via machine learning Z Wan, QD Wang, D Liu, J Liang Computational Materials Science 198, 110699, 2021 | 30 | 2021 |
| Accurate prediction of standard enthalpy of formation based on semiempirical quantum chemistry methods with artificial neural network and molecular descriptors Z Wan, QD Wang, J Liang International Journal of Quantum Chemistry 121 (2), e26441, 2021 | 17 | 2021 |
| As-Li electrides under high pressure: Superconductivity, plastic, and superionic states Z Wan, W Xu, T Yang, R Zhang Physical Review B 106 (6), L060506, 2022 | 16 | 2022 |
| Discovery of ester lubricants with low coefficient of friction on material surface via machine learning Z Wan, QD Wang, D Liu, J Liang Chemical Physics Letters 773, 138589, 2021 | 15 | 2021 |
| Development of machine learning models for the prediction of laminar flame speeds of hydrocarbon and oxygenated fuels Z Wan, QD Wang, BY Wang, J Liang Fuel Communications 12, 100071, 2022 | 12 | 2022 |
| Data-driven machine learning model for the prediction of oxygen vacancy formation energy of metal oxide materials Z Wan, QD Wang, D Liu, J Liang Physical Chemistry Chemical Physics 23 (29), 15675-15684, 2021 | 12 | 2021 |
| Predicted superconductivity and superionic state in the electride Li5N under high pressure Z Wan, C Zhang, T Yang, W Xu, R Zhang New Journal of Physics 24 (11), 113012, 2022 | 11 | 2022 |
| Prediction of band gap for 2D hybrid organic–inorganic perovskites by using machine learning through molecular graphics descriptors Z Wan, QD Wang, D Liu, J Liang New Journal of Chemistry 45 (21), 9427-9433, 2021 | 11 | 2021 |
| Quantitative structure-property relationship of standard enthalpies of nitrogen oxides based on a MSR and LS-SVR algorithm predictions Z Wan Journal of Molecular Structure 1221, 128867, 2020 | 8 | 2020 |
| Metallization of hydrogen by intercalating ammonium ions in metal fcc lattices at lower pressure Z Wan, R Zhang Applied Physics Letters 121 (19), 192601 (Editor's Pick), 2022 | 7 | 2022 |
| Machine learning prediction of the exfoliation energies of two-dimension materials via data-driven approach Z Wan, QD Wang The Journal of Physical Chemistry Letters 12 (46), 11470-11475, 2021 | 7 | 2021 |
| Accelerating the optimization of enzyme-catalyzed synthesis conditions via machine learning and reactivity descriptors Z Wan, QD Wang, D Liu, J Liang Organic & Biomolecular Chemistry 19 (28), 6267-6273, 2021 | 7 | 2021 |
| Quantum criticality in spin-1/2 anisotropic XY model with staggered Dzyaloshinskii–Moriya interaction YH Su, DC Liu, Z Wan, AM Chen, P Cheng Physica A: Statistical Mechanics and its Applications 594, 127005, 2022 | 4 | 2022 |
| Machine learning prediction of the optimal carrier concentration and band gap of quaternary thermoelectric materials via element feature descriptors Z Wan, QD Wang, D Liu, J Liang International Journal of Quantum Chemistry 121 (18), e26752, 2021 | 4 | 2021 |
| Accurate prediction of enthalpy of formation combined with AM1 method and molecular descriptors Z Wan, QD Wang Chemical Physics Letters 747, 137327, 2020 | 3 | 2020 |
| QSAR and molecular docking study on the biological activity of levofloxacin and thiodiazole histone deacetylase inhibitors Z Wan, RJ Sun Chemical Review and Letters 3 (1), 12-18, 2020 | 2 | 2020 |
| Superconductivity and magnetism in compressed actinium-beryllium-hydrogen alloys Z Wan, T Yang, W Xu, R Zhang arXiv preprint arXiv:2209.01903, 2022 | 1 | 2022 |
| Machine learning prediction of stability, topological properties and band gap of topological insulators in tetradymites Z Wan, QD Wang, D Liu, J Liang Physics Letters A 409, 127508, 2021 | 1 | 2021 |
| QSAR Study of Arylpyridone Oxime Based on the SVM and Elman Algorithms W Zhong-Yu Physical Chemistry Research 8 (2), 215-223, 2020 | 1 | 2020 |
| AQ‐learning method based on coarse‐to‐fine potential energy surface for locating transition state and reaction pathway W Xu, Y Zhao, J Chen, Z Wan, D Yan, X Zhang, R Zhang Journal of Computational Chemistry 45 (8), 487-497, 2024 | | 2024 |
QuanDe WangChina University of Mining and Technology在 cumt.edu.cn 的电子邮件经过验证
