#graph neural networks
Sep 2026
A DeepMD-GNN Potential Reveals the Initiation Mechanism of a Trinitromethyl-Based Green Primary Explosive
Trinitromethyl-based green explosives have garnered extensive research interest by virtue of their high mass density, superior energy density, favorable oxygen balance, and eco-friendly properties. However, the development of new energetic materials remains challenging because experimental studies are costly, hazardous...
Zihao Wei, Zi Li, Huajie Song et al.
· ACS Applied Materials & Inte... · 0 citations