Nonequilibrium Dynamics at Cellular Interfaces: Insights From Simulation and Theory

ABSTRACT Active matters, which consume energy to exert mechanical forces, include molecular motors, synthetic nanomachines, actively propelled bacteria, and viruses. A series of unique phenomena emerge when active matters interact with cellular interfaces. Activity changes the mechanism of nanoparticle intracellular delivery, while active mechanical processes generated in the cytoskeleton play a major role in membrane protein distribution and transport. This review provides a comprehensive overview of the theoretical and simulation models used to study these nonequilibrium phenomena, offering insights into how activity enhances cellular uptake, influences membrane deformation, and governs surface transport dynamics. Furthermore, we explore the impact of membrane properties, such as fluidity and viscosity, on transport efficiency and discuss the slippage dynamics and active rotation behaviors on the membrane surface. The interplay of active particles and membranes highlights the essential role of nonequilibrium dynamics in cellular transport processes, with potential applications in drug delivery and nanotechnology. Finally, we provide an outlook highlighting the significance of deeper theoretical and simulation‐based investigations to optimize active particles and understand their behavior in complex biological environments.