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Building next-generation simulation tools

Collaborators: National Physical Laboratory (NPL), IBM, University of Edinburgh

left-hand quote markNPL’s strategy commits us to delivering excellent science to maintain its national and international status as a leading National Measurement Institute. Improving the accuracy of the model predictions is a critical step in developing innovative approaches to measurement challenges. Without the HPC computing capabilities of the Hartree Centre we wouldn’t be able to complete our mission.right-hand quote mark

Vlad Sokhan
Principal Research Scientist, NPL

Offering: Software development

Outcome: Radical new framework for materials simulation

NPL, IBM and the University of Edinburgh have been working with the Hartree Centre to apply its intense computing capabilities to open new horizons in atomic and subatomic-scale simulation.

Meeting the very different demands of both ‘classical’ and quantum dynamics, the result has been the generation of new understanding about complex interactions between atoms and molecules and the way they link to a material’s properties.

For industry, the potential benefits of this more accurate simulation include better productivity, lower costs and the ability to improve materials handling processes.

Read the full Case Study

Get in touch

Tel: +44 (0)1925 603708
Email: hartreecomms@stfc.ac.uk

Last updated: 21 October 2016

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Science and Technology Facilities Council
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