collaborators

1 paper

cond-mat.mtrl-sci2025

Kinetic Monte Carlo prediction of the morphology of pentaerythritol tetranitrate

Jacob Jeffries, Himanshu Singh, Romain Perriot +3

In this work, we develop an atomistic, graph-based kinetic Monte Carlo (KMC) simulation routine to predict crystal morphology. Within this routine, we encode the state of the super…