Rational catalyst design for CO oxidation: a gradient-based optimization strategy
Ziyun Wang, P. Hu
Abstract
In this work, we proposed a gradient-based optimization strategy for rational catalyst design.
Topics & Concepts
CatalysisRational designChemistryCombinatorial chemistryComputer scienceNanotechnologyMaterials scienceOrganic chemistryCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsElectrocatalysts for Energy Conversion