Quantum-Enhanced Diffusion for Molecular Dynamics

Jincheng Zhang

Published Aug 31, 2026• 0 citations

Abstract

This paper presents a novel framework for molecular dynamics simulations that integrates quantum entanglement to accelerate the simulation process and enhance accuracy. Traditional molecular dynamics simulations are computationally demanding, particularly for large systems and long timescales. We propose a "Quantum-Accelerated Diffusion Algorithm" – a modified diffusion process utilizing quantum entanglement to dramatically reduce computational time and improve the fidelity of molecular dynamics simulations. The core mechanism involves establishing entangled states between system particles, allowing for instantaneous correlation during the diffusion process. We demonstrate the effectiveness of this approach through simulations of complex molecular systems, showcasing significant speedups and improved accuracy compared to conventional methods. This work contributes to a paradigm shift in molecular dynamics, offering a potentially transformative approach to modeling molecular behavior.

DOI: 10.5281/zenodo.22203917

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