femtosecond laser surface treatment offers unparalleled advantages in terms of precision, minimal thermal damage, versatility, reduced post-processing requirements, rapid processing speed, and environmental friendliness. These advantages make femtosecond lasers an attractive choice for surface engineering applications across various industries, driving innovation and enabling the development of advanced functional materials with tailored properties. The application of MD simulations offers a comprehensive understanding of the complex phenomena underlying the wettability modulation of femtosecond laser-treated Ti surfaces. By bridging the gap between theory and experiment, this study contributes to advancing our knowledge of surface engineering techniques and paves the way for the rational design of functional materials with tailored surface properties.