3 papers
cond-mat.mtrl-sci2026
PolyRapid: Automated High-Throughput Screening of Polymers Using a Computational Workflow
Lois Smith, Samuel Ericson, Vittoria Fantauzzo +3
High-throughput computational screening of polymers offers a powerful way to address the imbalance between the vast number of polymers synthesised for diverse applications and the…
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.soft2024
A Framework for a High Throughput Screening Method to Assess Polymer/Plasticizer Miscibility
Lois Smith, H. Ali Karimi-Varzaneh, Sebastian Finger +3
Polymer composite materials require softening to reduce their glass transition temperature and improve processability. To this end, plasticizers, which are small organic molecules,…