In order to make up for the shortcomings of homogeneous materials and meet the needs of industry development, heterogeneous materials have been increasingly applied in aviation, automobile, bridge and other fields. Heterogeneous materials refer to advanced materials with non-uniform components. By adjusting the structure or composition of heterogeneous materials, their performance may change in a specific direction to adapt to different environments and achieve special functions. To achieve wide applications of homogeneous materials, it is very important to be able to predict the performance and material response of heterogeneous materials. Modeling method is a basic and important method to accomplish this task. Modeling methods for studying heterogeneous materials include finite element method (FEM), molecular dynamics (MD), peridynamics (PD) and so on.After peer-reviewed process, ten manuscripts written by researchers from worldwide universities were selected to be published in this special issue, showing the current research status of modeling of heterogeneous materials.