Inverse design is a new approach in the realm of material science for finding the structure with desired property.We developed a novel algorithm for inverse design named as IM2ODE (Inverse Design of Materials by Multi-Objective Differential Evolution).The target properties of concern include optical and electrical properties of semiconductors,solar absorbers and hardness of materials.IM2ODE can easily predict the atomic configurations with desired properties for crystal structures,interfaces and clusters.This novel method has been applied successfully in predicting new titanium dioxide (TiO2) polymorph and carbon allotropes with optimal band gap for solar cell application,and 2D semiconductor SiS with good material properties.