Zhongyu Wan

Effectively improving the accuracy of PBE functional in calculating the solid band gap via machine learning

Zhongyu Wan, Quan‐De Wang, Dongchang Liu et al. · Computational Materials Science · 2021 · 75 citations

Materials Science, Engineering, Machine Learning +7

Predicted superconductivity and superionic state in the electride Li₅N under high pressure

Zhongyu Wan, Chao Zhang, Tianyi Yang et al. · New Journal of Physics · 2022 · 46 citations · Full text

Superconducting Material, Engineering, Mmm Structure +27

As-Li electrides under high pressure: Superconductivity, plastic, and superionic states

Zhongyu Wan, Wenjun Xu, Tianyi Yang et al. · Physical review. B./Physical review. B · 2022 · 43 citations · Full text

Engineering, Solid-state Chemistry, Inorganic Electrides +19

Data-driven machine learning model for the prediction of oxygen vacancy formation energy of metal oxide materials

Zhongyu Wan, Quan‐De Wang, Dongchang Liu et al. · Physical Chemistry Chemical Physics · 2021 · 24 citations

Accurate prediction of standard enthalpy of formation based on semiempirical quantum chemistry methods with artificial neural network and molecular descriptors

Zhongyu Wan, Quan‐De Wang, Jinhu Liang · International Journal of Quantum Chemistry · 2020 · 21 citations

Engineering, Chemical Analysis, Neural Network +23