3 citations · 3 across the 2 of their papers we have counts for
2 papers
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…
cond-mat.mtrl-sci2022★ 3 cited
A Methodology to Generate Crystal-based Molecular Structures for Atomistic Simulations
Christian F. A. Negre, Andrew Alvarado, Himanshu Singh +3
We propose a systematic method to construct crystal-based molecular structures often needed as input for computational chemistry studies. These structures include crystal ``slabs"…