Quantum Catalysis Reactions for Sustainability

Farha Khan, Mohammad Adil, Mohammad Oves

Donald G. Truhlar

Chandan Datta, Tulja Varun Kondra, Marek Miller +1 more

Abstract In chemistry, a catalyst is a substance which enables a chemical reaction or increases its rate, while remaining unchanged in the process. Instead of chemical reactions, quantum catalysis enhances our ability to convert quantum states into each other under physical constraints. The nature of the constraints depends on the problem under study and can arise, e.g. from energy preservation. This article reviews the most recent developments in quantum catalysis and gives a historical overview of this research direction. We focus on the catalysis of quantum entanglement and coherence, and also discuss this phenomenon in quantum thermodynamics and general quantum resource theories. We review applications of quantum catalysis and also discuss the recent efforts on universal catalysis, where the quantum state of the catalyst does not depend on the states to be transformed. Catalytic embezzling is also considered, a phenomenon that occurs if the catalyst’s state can change in the transition.

Jincheng Zhang

The traditional understanding of chemical catalysis heavily relies on classical transition state theory and potential energy surface modification, treating reactions as stochastic processes driven by random thermal collisions. This paper introduces the Molecular Entanglement Catalysis Theory (MECT), a paradigm-shifting framework that transcends the classical energy-barrier model. MECT posits that high catalytic efficiency is achieved not merely through static energy reduction, but via the active alteration of reaction information transmission modality through quantum entanglement. By establishing non-local quantum correlations between the catalyst and the substrate, the system bypasses classical statistical limitations. We construct a comprehensive mathematical framework incorporating total system Hamiltonians, Lindblad master equations for open quantum systems, and quantum mutual information to track the evolution of the density matrix. The theory demonstrates that the quantum mutual information I(C:S) acts as an informational conduit that actively guides the reactant wavefunction toward the product state configuration, effectively lowering the quantum informational free energy change expressed as Delta_G_quantum = Delta_G_classical - k_B * T * I(C:S). This framework provides profound insights into biological enzymatic efficiency, such as allosteric regulation and ambient bond cleavage, and paves the way for designing next-generation synthetic catalysts engineered for quantum coherence and information-driven reaction control.

Cyrille Rigolot

Patryk Lipka-Bartosik, Henrik Wilming, Nelly H. Y. Ng

Catalysts open up new reaction pathways that can speed up chemical reactions while not consuming the catalyst. A similar phenomenon has been discovered in quantum information science, where physical transformations become possible by utilizing a quantum degree of freedom that returns to its initial state at the end of the process. In this review, a comprehensive overview of the concept of catalysis in quantum information science is presented and its applications in various physical contexts are discussed.