Atomistic simulations are pivotal in understanding the interactions at solid-fluid interfaces, which greatly influence various scientific and engineering applications. The computation of surface free energy and tension at these interfaces is crucial for predicting material behaviors in different environments. Recent advancements in computational methodologies have enabled more precise calculations, providing insights into the thermodynamic properties that govern these interactions. This foundational knowledge assists in the design of materials with tailored surface properties for improved performance in diverse fields such as catalysis, coating technologies, and energy storage systems. As the demand for miniaturization and enhanced functionality grows, atomistic computing continues to be an invaluable tool in materials science, offering a detailed understanding that aids in the development of innovative solutions.
