2 papers
cond-mat.mtrl-sci2026
Directed impulsive molecular dynamics reveal energy-routing pathways of bond cleavage in TATB
Guanchen Dong, Xiaona Huang, Yuxuan Chen +5
Responses of energetic materials to external stimuli involve more than uniform thermalization. Understanding directional energy redistribution is essential for structural and ignit…
cond-mat.mtrl-sci2026
Knowledge-Guided Construction of Machine Learning Potentials for Reactive Behavior in Energetic Materials
Guanchen Dong, Huanrong Liu, Lin Wang +12
Energetic materials involve multiple interactions, making reliable machine-learning potentials (MLPs) difficult to construct without extensive datasets. Here, we enhance the abilit…