Machine Learning for Computational Heterogeneous Catalysis
نویسندگان
چکیده
منابع مشابه
Learning Chemical Trends in Heterogeneous Catalysis
Despite tremendous advances in the understanding of catalysis in the past few decades, the discovery of improved materials for energy transformation processes has been guided by physical intuition and trial-and-error approaches. Even though computational simulations have provided a more rational approach, even the most systematic studies involving the most well-described systems require a large...
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ژورنال
عنوان ژورنال: ChemCatChem
سال: 2019
ISSN: 1867-3880,1867-3899
DOI: 10.1002/cctc.201900595