Embedded Files
Computer-aided Reaction Design
Fields
Fields
CO2 reduction
CO2 reduction
Fischer-Tropsch, Methane conversion, Methanol synthesis, CO2 conversion
Biomass conversion
Biomass conversion
Deoxygenation, Water-mediated hydrolysis
Acetylene hydrogenation
Acetylene hydrogenation
Green oil-resistant design, hydrogen-free hydrogenation
Methods
Methods
Designing catalyst using first-principles analysis
Designing catalyst using first-principles analysis
Mechanistic and microkinetic modeling of the catalytic reaction
Computational screening of catalysts for a target reaction
Machine-learning approaches for designing reaction paths and catalysts
Machine-learning approaches for designing reaction paths and catalysts
Catalyst structure estimation
Reaction condition optimization
Page updated
Google Sites
Report abuse