Energetic materials (EMs)Energetic Material (EM) are made of molecules or ions whose properties can be predicted using the same techniques as used for organic materials such as drugs, organic semiconductors or ionic liquids. However, predictive modeling exhibits a number of specificities when applied to EMs. First, experimenal data is particularly scarce in this field owing to the hazards and costs associated with handling such materials. Second, EMs exhibit complex hierarchical structures, with many of them including an energetic load made of crystalline grains of variable quality morphology, as well as a polymeric binder. Third, most quantities of interest for EMs are reactive properties. In principle, they do not depend only on the material structure, but also on decomposition intermediates encountered along complex reaction pathways. In this context, predictive models have been mainly limited to explosive or propellant performance and mechanical sensitivity to impact, as reviewed here.