化学反应模型的量子有限自动机方法
A Quantum Finite Automata Approach to Modeling the Chemical Reactions
摘要：
近年来，人们对模型的兴趣已经从分子水平显著增加到原子和量子尺度。计算化学领域在设计计算模型方面发挥着重要作用，这些模型用于从原子和分子到工业规模过程的系统的操作和模拟。它受到计算能力和算法效率的巨大增长的影响。用经典自动机理论描述化学反应的热力学过程对计算机科学产生了巨大的影响。用量子计算模型研究化学信息处理是一个自然的目标。在本文中，我们使用双向量子有限自动机模拟化学反应，这些反应在线性时间内停止。此外，经典的下推自动机可以被设计用于具有多个堆栈的这种化学反应。已经证明，通过结合化学接受/拒绝签名和量子自动机模型，可以增加计算的通用性。
英文摘要：
In recent years, the modeling interest has increased significantly from the molecular level to the atomic and quantum scale. The field of computational chemistry plays a significant role in designing computational models for the operation and simulation of systems ranging from atoms and molecules to industrial-scale processes. It is influenced by a tremendous increase in computing power and the efficiency of algorithms. The representation of chemical reactions using classical automata theory in thermodynamic terms had a great influence on computer science. The study of chemical information processing with quantum computational models is a natural goal. In this paper, we have modeled chemical reactions using two-way quantum finite automata, which are halted in linear time. Additionally, classical pushdown automata can be designed for such chemical reactions with multiple stacks. It has been proven that computational versatility can be increased by combining chemical accept/reject signatures and quantum automata models.
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