We're using virtual technologies to increase our understanding of structure and property relationships at the nanoscale, addressing sustainability issues that underpin a range of emerging products.

The challenge

Predicting properties in small science

Nanoscale materials are revolutionising many areas in modern society, but with each innovation comes new and complex challenges.

Predicting the properties of nanomaterials under realistic conditions is an essential part of making more sustainable products that are safe, cost-effective and perform as expected. Yet, it's complicated by the almost infinite number of possible materials and combinations.

In contrast to conventional laboratory work, virtual experiments can systematically address these issues, and guide the design of new materials and processes.

Our response

Combining accuracy and realism in a virtual world

Our virtual nanoscience team of physicists, chemists and software developers is dedicated to the prediction, description and assessment of molecules and nanostructures and materials.

Using high performance supercomputers and the latest mathematical models, the accuracy of ab initio electronic structure methods is combined with multivariate data analysis, to model more realistic systems.

From polymers and carbon nanostructures, to metallic and oxide catalysts, we are at the cutting edge of computational materials innovation.

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