Multilayer machine-learning framework for screening catalytic activity and selectivity

doi:10.1016/j.checat.2025.101611

Multilayer machine-learning framework for screening catalytic activity and selectivity

2026-02-18

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DOI：10.1016/j.checat.2025.101611

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Abstract

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• A data-driven multilayer framework is developed for screening catalytic behaviors • Active and selective Cu-based catalysts for CO2 hydrogenation to methanol are predicted • The framework outperforms conventional machine-learning models

Keywords:

catalytic activity

catalytic selectivity

Cu-based catalysts

CO2 hydrogenation

machine-learning framework

Multilayer machine-learning framework for screening catalytic activity and selectivity

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