33 citations · 35 across the 2 of their papers we have counts for
2 papers
cs.CE2023★ 2 cited
Graph-Network-Based Predictive Modeling for Highly Cross-Linked Polymer Systems
Wonseok Lee, Sanggyu Chong, Jihan Kim
In this study, a versatile methodology for initiating polymerization from monomers in highly cross-linked materials is investigated. As polymerization progresses, force-field param…
physics.chem-ph2023★ 33 cited
Robustness of Local Predictions in Atomistic Machine Learning Models
Sanggyu Chong, Federico Grasselli, Chiheb Ben Mahmoud +3
Machine learning (ML) models for molecules and materials commonly rely on a decomposition of the global target quantity into local, atom-centered contributions. This approach is co…