Repository Infrastructure and Reproducible Polymer Data
Izzy Cooley, Weiling Wang
University of Loughborough · University of Strathclyde
2025-06-16 · 14:45 BST
A data repository for efficient pipeline storage and retrieval of data pertaining to polymers and related chemistries is under development. Integrated physics-based simulations for property prediction will be deployed along with machine learning models to guide material design. We embed open science and FAIR (Findable, Accessible, Interoperable, Reusable) principles into this work, aiming to unlock value from large quantities of polymer data that are produced but risk falling into obscurity. We will discuss the infrastructure of the data repository and the considerations required therein for polymeric materials. The examples of simulation and data processing procedures used as integrated tools will be showcased to demonstrate the potential for maximizing the value of the repository.