In recent years, the advancement of learning algorithms has shifted the focus of molecular simulation from icing processes to more complex predictions of anti-icing material properties. However, hindrances still exist in the rational design of high-performance anti-icing materials. The interfacial interaction behavior between pre-icing droplets and solids highlights the importance of incorporating special micro/nano structures into efficient anti-icing materials. When certain interface conditions fluctuate, it may lead to unavoidable icing. To combat this irresistible process, ultra-low ice adhesion and integrated active/passive anti-icing materials are used. By review the generation and transformation of these interface phenomena, summarize the various methods for designing anti-icing materials.