Quantum-Enhanced Simulation of Complex Chemical Reactions

Jincheng Zhang

Published Sep 7, 2026• 0 citations

Abstract

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.

DOI: 10.5281/zenodo.22574154

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