Catalysis is crucially important for the world economy and the well being of society and is a core area of contemporary science that underpins the manufacture of approximately 90% of chemicals ...
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One catalyst, two reactions: Multiple reaction steps now possible in one vessel using inexpensive cerium
Most of the drugs, plastics, and industrial materials widely used today are produced through chemical reactions. In general, most high-performance and sophisticated substances have complex structures, ...
A core insight that can be obtained from such models is the so-called detailed reaction mechanism. This is the dominant path along which the reaction proceeds through the reaction network, that is, ...
Researchers present a new generative AI model that can simultaneously design catalyst structures and predict their performance under specific reaction conditions. CatDRX is a generative AI framework ...
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