Using AI and quantum chemistry to predict how a catalyst will behave across different phases, allowing researchers to "digitally twin" a reaction before ever hitting the lab.
Designing systems where two different types of catalytic sites work in tandem—for example, a metal site for hydrogenation and an acid site for dehydration—to complete complex multi-step reactions in a single "one-pot" process. Catalysis: An Integrated Approach to Homogeneou...
Rather than treating (liquid phase), Heterogeneous (solid surface), and Enzymatic (biocatalysis) systems as separate silos, this approach looks for common ground in reaction mechanisms and molecular design. Using AI and quantum chemistry to predict how
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