Simulation

theory and experiment are complementary and cross-validated

which enables us to understand the microscopic origins for the macroscopic phenomena. With the novel computational powers and advanced computational technologies

computer simulation has become a powerful and unique tool for polymer science

and played an important role in the optimal design of polymer materials and the study of structure-property relationships. Polymers are characterized by a broad range of length and time scales

their properties as well as functions are therefore not only dependent on the molecular species composing the systems but also significantly on their condensed states or phase morphologies. From this reason computer simulations appear as a natural choice for gaining such deep understanding on the structure-property relationship in different scales

acting as a key step for the future material design. However

to bridge these disparate scales in the multiscale modeling of polymers

it is required to develop strategies for perfecting the simulation methods at these different scales and also for linking these scales so that various levels of simulations are coupled and fed back into each other. Among these

developing a structurally and thermodynamically consistent coarse-graining approach to bridge the gap between atomistic and mesoscopic simulation is extremely urgent.