MD-inferred neural network monoclinic finite-strain hyperelasticity models for $\beta$-HMX: Sobolev training and validation against physical constraints

Nikolaos N. Vlassis, Puhan Zhao, Ran Ma +2

We present a machine learning framework to train and validate neural networks to predict the anisotropic elastic response of the monoclinic organic molecular crystal $\beta$-HMX in the…