A Quantum Finite Automata Approach to Modeling the Chemical Reactions

TL;DR

This paper introduces a novel quantum automata framework for modeling chemical reactions, leveraging quantum computational models to enhance the simulation and understanding of chemical processes at the molecular level.

Contribution

It presents the first application of two-way quantum finite automata to model chemical reactions, combining quantum automata with chemical signatures for increased computational versatility.

Findings

Quantum automata can model chemical reactions efficiently.

Combining chemical signatures with quantum automata enhances computational power.

Models operate in linear time for halted automata.

Abstract

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.