Understanding the intricate dynamics between the human brain and music is a formidable yet captivating pursuit in contemporary neuroscience. This comprehensive review delves into the art and science of music, exploring cutting-edge models and technologies used to decode the intricacies of music perception and production in the human brain. It highlights Rule-Based Interactions, Agent-Based Models, Generative Models, Reinforcement Learning Models, Neural Oscillation Models, Graph Theory, and Statistical Models for Connectivity Analysis. These models offer insights into the neural mechanisms that underlie music cognition, from rule-based interactions to neural oscillation patterns. Music neuroscience integrates these models to unravel the complex relationship between music and the brain, bringing us closer to understanding the mysteries of this universal art form.