Baochuan Wang

Automated Generation and Analysis of the Complex Catalytic Reaction Network of Ethanol Synthesis from Syngas on Rh(111)

Tangjie Gu, Baochuan Wang, Shuyue Chen et al. · ACS Catalysis · 2020 · 65 citations

Chemical Engineering, Engineering, Ethanol Synthesis +15

Propagating DFT Uncertainty to Mechanism Determination, Degree of Rate Control, and Coverage Analysis: The Kinetics of Dry Reforming of Methane

Baochuan Wang, Shuyue Chen, Jiaming Zhang et al. · The Journal of Physical Chemistry C · 2019 · 59 citations

Engineering, Gasification, Reactor Physics +24

Prediction of energies for reaction intermediates and transition states on catalyst surfaces using graph-based machine learning models

Baochuan Wang, Tangjie Gu, Yijun Lu et al. · Molecular Catalysis · 2020 · 17 citations

Transition States, Chemical Engineering, Engineering +12

Quantifying the error propagation in microkinetic modeling of catalytic reactions with model-predicted binding energies

Yijun Lu, Baochuan Wang, Shuyue Chen et al. · Molecular Catalysis · 2022 · 12 citations

Thermodynamic Modelling, Engineering, Microkinetic Modeling +12