Quantum-Enhanced Diffusion for Molecular Dynamics Simulations

Jincheng Zhang

Published Sep 1, 2026• 0 citations

Abstract

Quantum-enhanced diffusion is a novel approach to accelerating molecular dynamics simulations by leveraging quantum mechanics to model the diffusion process. This paper explores the potential of quantum algorithms to overcome the inherent limitations of classical methods, ultimately achieving more accurate and efficient simulations. We detail the core mechanism, outlining the theoretical foundation and practical implementation of this quantum-accelerated diffusion technique. The goal is to demonstrate a significant improvement in simulation speed compared to existing classical methods, particularly for complex molecular systems exhibiting diffusion behavior. The paper concludes with a discussion of the challenges and future research directions.

DOI: 10.5281/zenodo.22219136

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