Computational Chemistry Group

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Developing materials modelling methodology into internationally-leading simulation products to support UK's academia and industry.

​​We blend our cutting edge expertise in materials modelling methodologies (from ab initio through molecular to mesoscale) and HPC software engineering skills into internationally-leading simulation products and research projects.  We support the UK academic community via stewardship to CCP5, MCC, UKCOMES and CCP-BioSim and provide expert assistance to UK industry via the STFC Hartree Centre.  Click on a person to find out more!​

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Computational Chemistry Group