2 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…