Quantum-Enhanced Simulation of Complex Chemical Reactions (Q-Chem)

Jincheng Zhang

Published Sep 6, 2026• 0 citations

Abstract

Quantum-Enhanced Simulation of Complex Chemical Reactions (Q-Chem) is a novel approach to molecular dynamics simulation designed to overcome the limitations of current methods, particularly when simulating complex chemical reactions. This paper introduces a new method leveraging quantum entanglement to model the intricate interactions between molecules, aiming to achieve unprecedented accuracy and resolution in capturing reaction dynamics. The core mechanism centers around incorporating quantum entanglement into the molecular dynamics framework to represent and simulate the correlations within chemical pathways, offering a pathway to accurately model reactions that are currently intractable using traditional methods. The paper details the theoretical framework, implementation of the quantum-enhanced molecular dynamics simulation, and preliminary results demonstrating its potential for significantly improved simulations of complex chemical reactions.

DOI: 10.5281/zenodo.22474212

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