Screening of Metal Catalysts for CO2 Conversion via Machine Learning and Molecular Simulations

This study's primary objective is to improve catalyst discovery by assessing earth-abundant metal catalysts for the conversion of CO2 to methane through the use of machine learning (ML) and molecular dynamics (MD) simulations. The highest CO2 binding energy on 61 metals was determined to be -9.75 eV...

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Auteurs principaux:	Felix Okello, Timothy Manda, Livingstone Ochilo, Fred Okumu, Solomon Omwoma, Denis Magero, Anthony Pembere
Format:	Artigo
Langue:	Inglês
Publié:	Semnan University 2025-11-01
Collection:	Progress in Physics of Applied Materials
Sujets:	metal catalysts co2 conversion machine learning molecular simulations
Accès en ligne:	https://ppam.semnan.ac.ir/article_9640_1ef34786f6ae7d22ed9ba1f1c5ced04b.pdf
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