In spite of the fact that all-atom models can give direct, precise predictions of structureproperty relations of intricate systems with abundant atomic details, a considerable amount of phenomena of interest in systems such as macromolecules (e.g., polymers and proteins) that usually take place at the mesoscopic level are still inaccessible through all-atom simulations. To overcome these limitations, coarse-grained (CG) models have been developed, where multiple atoms or molecules are represented by a single interacting entity, reducing computational cost while still capturing essential features of the system. Using the CG models, molecular systems with extensive spatio-temporal scales are allowed to explore, facilitating investigations of phenomena, e.g., long-time dynamics, interfacial/phase behaviors, self-assembly, etc.