They have applied this software to data-driven materials discovery, and provided these open-source materials databases and language models to the global scientific community.

“Our AI software represents a platform technology, so our methods stand to massively accelerate materials discovery over many disciplines," explains Jacqui.

The large, high-quality, experimental materials databases and materials-domain-specific language models that can be produced from this chemistry-aware AI software are already proving to be valuable resources for the global materials community.

For example, Jacqui's group have demonstrated their use in massively reducing the 'molecule-to-market' timeframe for discovering a material for a target application. This data-driven materials discovery was fully executed in less than one year, which compares with a global average timeframe of 20 years for industry to discover a new material for a given application.

Professor Jacqui Cole is Head of Molecular Engineering at Cambridge, BASF / Royal Academy of Engineering Research Chair in Data-driven Molecular Engineering of Functional Materials and held a joint appointment at ISIS during the period where some of this work was conducted.

Alongside Jacqui, the prize winning team includes current and former ISIS staff members Jos Cooper, James Doutch, Stephen Hall, Ritchie Haynes,​ Nina Juliana-Steinke, Saurabh Kabra, Daniel Nye, Mostafa Saad Ali Ebied, Gavin Stenning, Adam Washington and John Webster.

“We had a diverse set of scientific skills that span the full 'design-to-device' pipeline for materials discovery, including scientific programming, artificial intelligence, algorithmic design, software development, data science, statistics, chemical synthesis, device physics, device fabrication and testing, design engineering and delivery of in-situ materials characterisation," adds Jacqui.

More information about the prize can be found on the RSC website.