CORDIS Project
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The DAMOCLES project uses data-driven modeling to enhance metal oxide catalysts for converting carbon dioxide into useful chemicals. By leveraging machine learning and molecular simulations, it aims to discover new catalytic materials for sustainable chemical processes.
The DAMOCLES project aims to apply data-driven modeling (i.e., molecular simulations combined with machine learning) to study and tailor metal oxide catalysts for CO2 hydrogenation processes (reverse water-gas shift, CO2 methanation, and CO2 to methanol), with the final goal of screening oxides in search of new and better catalytic materials.
The starting point of the project is the newly-released OC22 oxide data set (from Meta FAIR and Ulissi's group) comprising approximately 50k adsorption ene…
AARHUS UNIVERSITET
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United States, PITTSBURGH
Type: University / higher education
Activity type: Higher or Secondary Education Establishments
SME: No
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