Wei Yu

Revealing the oxygen Reduction/Evolution reaction activity origin of Carbon-Nitride-Related Single-Atom catalysts: Quantum chemistry in artificial intelligence

Xuhao Wan, Wei Yu, Huan Niu et al. · Chemical Engineering Journal · 2022 · 75 citations

Artificial Intelligence, Oxygen Reduction Reaction, Chemical Engineering +8

Machine-learning-assisted discovery of highly efficient high-entropy alloy catalysts for the oxygen reduction reaction

Xuhao Wan, Zhaofu Zhang, Wei Yu et al. · Patterns · 2022 · 72 citations · Full text

A density-functional-theory-based and machine-learning-accelerated hybrid method for intricate system catalysis

Xuhao Wan, Zhaofu Zhang, Wei Yu et al. · Materials Reports Energy · 2021 · 46 citations · Full text

Engineering, Machine Learning, Computational Chemistry +17

High-Throughput Screening of Gas Sensor Materials for Decomposition Products of Eco-Friendly Insulation Medium by Machine Learning

Xuhao Wan, Wei Yu, Anyang Wang et al. · ACS Sensors · 2023 · 40 citations

Atomic-size dependence of the cohesive energy, bandgap, Young's modulus, and Raman frequency in different MA2Z4: A bond relaxation investigation

Yonghui Liu, Chen Shao, Wei Yu et al. · Applied Physics Letters · 2022 · 31 citations

Engineering, Bond Relaxation Investigation, Electronic Structure +19