With the rapid development of nanotechnology, recent years have witnessed the explosive growth of a variety of nanometer-sized nanoparticles as candidates for an ever increasing list of potential applications for next generation electronics, microchips, composites, biosensors, and drug delivery. On one hand, the growing applications of nanomaterials pose serious concerns about their toxicity as they enter the human body via various pathways including the respiratory system, skin absorption, intravenous injection and implantation. On the other hand, nanomaterials show promising potentials in medical imaging and gene/drug delivery. Indeed, understanding the fundamental physics of the cell-nanomaterial interaction in the process of endocytosis is not only of paramount significance to the evaluation of beneficial and hazardous effects of nanotechnology but also to the medical applications such as gene/drug delivery and medical imaging. In this talk, I would like to provide a novel way to explore the mechanics of cell-nanomaterial interactions via a systematic and multiscale computational methodology with a focus on the effects of surface properties and mechanical properties of particles on the particle uptake and release processes, and to establish effective guidelines for designing controllable drug delivery from the computational perspective.