Quantum Computing Molecular Dynamics Simulation aims to accelerate molecular dynamics simulations and enhance the ability to model complex molecular structures and interactions, ultimately providing more accurate molecular property predictions. This paper explores the potential of leveraging quantum computing's unique characteristics to overcome limitations inherent in classical methods, resulting in significantly reduced computational complexity and improved simulation accuracy. We detail the core mechanism, focusing on how quantum algorithms can be employed to overcome the computational bottlenecks in molecular dynamics simulations.
In order to create two new computing processes that can be referred to as quantum molecular biology, these two computing systems can be combined. Quantum-DNA computing and DNA-quantum computing are also components of this quantum molecular biology. This chapter explains how DNA computing constructs the operations for multi-valued systems. The study of molecular biology is concerned with nucleic acids and proteins–macromolecules that are critical to biological processes–and how they interact and behave within cells. Quantum molecular biology is the field of study that investigates processes in living organisms that cannot be accurately described by the classical laws of physics. So, quantum molecular biology is a kind of computing technology which can be quantum-DNA computing or DNA-quantum computing. It also presents the ternary logic in the DNA computing system, that means establishing basic gates and fundamental operations in the ternary system.