In silico simulation for designing hydrogels

In silico modeling is a powerful strategy to study and design hydrogels. The advantages are many, as it allows us to identify how properties at the molecular scale translate into mesoscopic mechanical properties and to explore numerous possibilities in an efficient way, avoiding costly and time-consuming experimental cycles. However, the dynamics of formation and relaxation of hydrogels involve processes at time and length scales across several orders of magnitude, and therefore fully detailed models are impracticable. Instead, coarse-graining strategies are necessary to study properties at a given scale. Here, we review the main strategies considered so far and discuss possible developments for the future.