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Topological Quantum Simulation of Complex Chemical Reactions

Jincheng Zhang

Published Aug 31, 2026• 0 citations
Publisher

Abstract

This paper explores the potential of topological quantum computation (TQC) to revolutionize the simulation of complex chemical reactions. Traditional computational methods often struggle to accurately model the intricate interactions between atoms within these reactions. We propose a novel framework utilizing topological phases to represent these interactions, aiming for a more compact and efficient simulation model than existing approaches. The core claim is that TQC offers a pathway to significantly improve the fidelity and speed of simulating complex chemical processes, potentially enabling breakthroughs in drug discovery, materials science, and fundamental chemical understanding. The paper details the design and implementation of a TQC simulation platform, highlighting key challenges and preliminary results demonstrating the framework's potential for accurate modeling.

DOI
10.5281/zenodo.22187257

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Quantum-enhanced simulation offers a novel approach to modeling complex chemical reactions, potentially surpassing the limitations of classical methods. This paper explores the design and implementation of a quantum algorithm to represent reactant and intermediate quantum states, capturing dynamic interactions and accelerating the discovery of new catalysts and reactions. We detail the core mechanism, emphasizing the use of superposition and entanglement to achieve a significant speedup. The paper concludes with a discussion of the potential impact of this technology on chemical research and development. The core claim is that a quantum simulation algorithm can accurately model complex chemical reactions, enabling faster discovery of new catalysts and reactions.
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