Loughborough University

Polymers are at the heart of innovation in fields ranging from 3D printing and advanced batteries to medical devices and pharmaceuticals. But unlocking their full potential is not easy. Unlike small molecules, polymers are structurally complex and often described in inconsistent ways. Different industries record different aspects of polymer data, using their own methods and conventions. The result is fragmented, hard-to-find information that slows down progress and limits opportunities for collaboration. 

To move forward, the polymer community needs more than new tools. It needs a shared framework for data capture, agreed standards, and infrastructure that links experimental and computational results. Loughborough University is tackling this issue by building the foundations of a shared polymer data infrastructure that will support faster, smarter materials selection. 

At Loughborough University, Professor Anna Croft (Professor of Disruptive Chemistries) leads pioneering work to make polymer data more consistent, accessible, and useful. Her team is developing workflows that capture vital polymer properties such as solubility, miscibility, and viscosity, combining laboratory experiments with advanced computational techniques. These include force field molecular dynamics and COSMO-RS, a quantum chemistry/statistical thermodynamics method for studying mixtures. 

The group places a strong emphasis on open-source software, aligning with PSDI’s frameworks, and focuses on turning early-stage research protocols into robust, scalable tools. Their goal is to create a foundation that supports reliable data capture, sharing, and predictive modelling at scale. 

The collaboration with PSDI began in 2023, recognising that advances made at Loughborough could deliver far greater impact when linked to national-scale infrastructure. PSDI provides the environment where locally developed workflows can grow into resources for the wider research community. 

Through this partnership, Anna’s team is connecting their polymer data workflows with platforms such as Galaxy and AiiDA, supported by technical expertise that ensures these tools are both scalable and sustainable. The relationship has also opened new opportunities to embed FAIR data principles, helping to make polymer data more consistent, accessible, and reusable across disciplines. 

Crucially, PSDI acts as a bridge, linking Loughborough’s pioneering methods to the wider UK and international research community. By working together, the teams are developing approaches that go beyond individual projects, transforming locally developed workflows into shared infrastructure with lasting impact for the polymer community and beyond. 

CONNECTION TO THE WIDER COMMUNITY

enabling research that is more consistent, accessible, and impactful

The Loughborough–PSDI partnership is already producing tangible outcomes, including submitted and forthcoming papers on solubility workflows and polymer protocols. Beyond publications, the collaboration is laying the foundations for machine learning applications that will transform raw polymer data into predictive models for future materials design.