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1 article for “bioprocess intensification”
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From Quantum Chemistry to Bioprocess Intensification: Advanced Computational Modeling and Enzyme-Based Catalytic Platforms for Green Chemical Transformations
Abstract: Green chemistry requires the development of sustainable catalytic systems that minimize waste generation, reduce energy consumption, and improve process efficiency. Computational chemistry and biocatalysis have emerged as complementary approaches for environmentally responsible chemical manufacturing. Computational techniques such as quantum chemistry, density functional theory (DFT), molecular dynamics, and machine learning provide mechanistic insights into catalytic reactions and support the rational design of efficient catalysts. These approaches enable the prediction of reaction …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 45–52 Read article