Thermodynamic Transferability in Coarse-Grained Force Fields using Graph Neural Networks. - Emily Shinkle; Aleksandra Pachalieva; Riti Bahl; Sakib Matin; Brendan Gifford; Galen T. Craven; Nicholas Lubbers (CoRR, 2024)

Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation. - Luan G. F. dos Santos; Benjamin T. Nebgen; Alice E. A. Allen; Brenden W. Hamilton; Sakib Matin; Justin S. Smith; Richard A. Messerly (J. Chem. Inf. Model., 2025)

Ensemble Knowledge Distillation for Machine Learning Interatomic Potentials. - Sakib Matin; Emily Shinkle; Yulia Pimonova; Galen T. Craven; Aleksandra Pachalieva; Ying Wai Li; Kipton Barros; Nicholas Lubbers (CoRR, 2025)