Materials molecule

Material design and engineering

We're always looking for new approaches to making better functional materials and optimising how they work in real conditions. Our advanced modelling and experimental R&D teams work closely together to establish a deep understanding of materials and manufacturing processes, using simulations to troubleshoot problems and identify improvement opportunities.

 

From the laboratory to production

Atomic scale modelling allows us to probe physical properties, study chemical reactions to suggest new compositions or structural features that could influence reactions, and design novel materials with specific properties and functions. Close collaboration between experimentalists and modellers accelerates the material discovery process, allowing iterative refinements of models and ultimately the synthesis of candidate materials.

Because we understand both material design and manufacturing, we can get to grips with the challenges of scaling up while still in the early stages. Designing for quality manufacturing from the beginning is achieved by modelling of the laboratory-scale processes, understanding microstructure, formulation, materials handling, scale up, reproducibility at tonne scale, and processing of our materials. To do this, we call on our experts in thermodynamic modelling, computational chemistry, numerical methods, particle and fluid flow modelling.

Delivering advanced materials

Having this understanding means we can optimise performance and replicate laboratory results at manufacturing scale. Our customers can be confident that samples they receive from us can be scaled up without loss of performance, and that we can meet their demands on specifications, timescales and consistency.

Our knowledge and understanding means we can pre-empt customer modifications and needs, challenge thought processes and work in partnership. Our capabilities put us at the heart of developing catalyst and materials of the future for applications including fuel cells, battery materials, emission control and process catalysis.