基于量子自旋的化学反应模拟与优化

Jincheng Zhang

Published Sep 2, 2026• 0 citations

Abstract

Quantum spin dynamics (QSD) offer a novel and potentially transformative approach to chemical reaction simulation, particularly when compared to traditional methods. This paper explores the application of QSD to modeling chemical reaction rates and product formation, aiming to enhance accuracy and efficiency through precise simulation. We investigate a model framework utilizing the quantum spin states of reactants to represent the chemical reaction pathway. The core mechanism focuses on quantitatively predicting reaction outcomes and employing optimization techniques to refine reaction conditions. The current work demonstrates the potential for QSD to provide a more robust and insightful understanding of chemical reactions.

DOI: 10.5281/zenodo.22245435

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