Hydro processing
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Multiscale Catalytic Strategies for Sustainable Chemical Production: Integrating Computational Catalysis, Process Technology and Biocatalytic Transformations
Abstract: The transition toward sustainable chemical manufacturing requires catalytic technologies capable of maximizing resource efficiency, minimizing greenhouse gas emissions, and enabling the utilization of renewable feedstocks. Recent advances in computational catalysis, process technology, and biocatalytic transformations have created opportunities for the development of integrated catalytic platforms spanning molecular, reactor, and process scales. Density functional theory (DFT), machine learning-assisted catalyst discovery, and multiscale modeling have accelerated the rational design of heterogeneous, homogeneous, …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 27–35 Read article