Synthetic chemistry of energetic materials: Evolution, current trends, and AI-driven future

Energetic materials are capable of storing vast amounts of chemical energy and releasing it over a very short period of time, leading to an irreplaceable usage in both military and civilian applications. From traditional nitro compounds to nitrogen-rich heterocyclic energetic compounds, a large number of high-performance energetic molecules have been synthesized. Recently, several promising strategies have been developed for the efficient synthesis, tuning, and prediction of the properties of energetic compounds, which are expected to reshape the field of energetic materials. Here we highlight and discuss several representative examples to show the latest advancements and promote the development of this field. Representative strategies for the efficient synthesis, performance tuning, and property prediction of energetic compounds are highlighted and analyzed, showcasing recent advances and promoting further development in the field. • Recent advances in high-performance energetic compounds are summarized and analyzed. • Green synthetic approaches and performance-control strategies for energetic compounds are highlighted. • AI-driven property prediction and autonomous process optimization are discussed.