The Need for a Bottom‐Up Approach to Advance Safety and Performance in Energetic Materials

ABSTRACT Energetic materials (EMs), such as explosives, propellants, and pyrotechnics, play critical roles in various applications due to their rapid and intense energy release capabilities. Consequently, there is a need to balance performance with safety, ensuring that these materials can be used effectively while minimizing the risk of accidents. This perspective introduces and highlights the need for a bottom‐up approach to EM design that emphasizes structural considerations at the molecular, crystal, micro, and macro levels. Modifications to molecular architecture, engineering specific crystal packing patterns for optimal densities and reduced material sensitivity, and strategies for control of the microstructure, such as advanced crystallization techniques and the use of additives to increase energy density, are discussed. While the focus is on molecular and crystalline feedstocks that underpin performance and sensitivity, the broader development pipeline, including computational screening, scale‐up, qualification, and aging, is acknowledged and briefly contextualized. Collectively, the strategies outlined in this perspective represent a holistic strategy towards EM design.