In order to change the past research mode of warhead materials, which is mainly based on the firing tests, a new research concept for warhead materials is put forward. The integrated system including computer simulation and properties characterization as well as materials design will be set up based on the service properties of warhead materials, and the volume firing tests will be replaced by computer simulation. In response to the new research concept, some scientific problems that must be solved are presented for implementing definite aim, and the stage results of the fundamental research projects for national security are summarized, the effect of the correlated studies on the future development of warhead materials is also evaluated.