3 papers
cond-mat.soft2025
Active Learning for Predicting Polymer/Plasticizer Phase Behaviour
Lois Smith, Jessica Steele, Hossein Ali Karimi-Varzaneh +1
Plasticisers (PLs) are small additives commonly incorporated into polymer composites to enhance processability and improve mechanical properties. Their effectiveness depends heavil…
cond-mat.soft2020
Computational study of the cross-link and the entanglement contributions to the elastic properties of model PDMS networks
Igor A. Gula, Hossein Ali Karimi-Varzaneh, Carsten Svaneborg
We built randomly cross-linked model PDMS networks and used Molecular Dynamics Methods to obtain stress-strain curves. Mooney-Rivlin (MR) analysis was used to estimate the shear mo…
cond-mat.soft2018
Kremer-Grest models for commodity polymer melts: Linking theory, experiment and simulation at the Kuhn scale
Ralf Everaers, Hossein Ali Karimi-Varzaneh, Nils Hojdis +2
The Kremer-Grest (KG) polymer model is a standard model for studying generic polymer properties in Molecular Dynamics simulations. It owes its popularity to its simplicity and comp…