1 citations · 1 across the 4 of their papers we have counts for
4 papers
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…
On the strength of underscreening
Andreas Härtel, Roland Kjellander
This paper constitutes a presentation of work in progress at a discussion session of the conference Dense ionic fluids Faraday Discussion, 8-10 July 2024, London, and is published…
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,…
Dynamically polarisable force-fields for surface simulations via multi-output classification Neural Networks
Nicodemo Di Pasquale, Joshua D. Elliott, Panagiotis Hadjidoukas +1
We present a general procedure to introduce electronic polarization into classical Molecular Dynamics (MD) force-fields using a Neural Network (NN) model. We apply this framework t…