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How are Machine Learning and AI Impacting Catalysis Research?

Machine learning (ML) and artificial intelligence (AI) are revolutionizing catalysis research by enabling the rapid discovery and optimization of catalysts. Researchers are leveraging ML to predict the properties and performance of new catalytic materials, significantly reducing the time and cost associated with experimental testing.
For instance, ML algorithms have been used to screen large databases of materials to identify promising candidates for CO2 reduction and hydrogen evolution. AI-driven approaches are also being employed to design catalysts with tailored properties by optimizing their composition and structure.

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