Frontiers in Physics (Nov 2020)
A Quantum Finite Automata Approach to Modeling the Chemical Reactions
Abstract
In recent years, the modeling interest has increased significantly from molecular level to atomic and quantum levels. Computational chemistry plays a significant role in designing computational models for the operation and simulation of systems ranging from atoms and molecules to industrial 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 study, 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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