School of Physics and Astronomy

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Theory and computation

We have access to an extensive suite of local, collaborative, and national computing facilities. These include high-performance and high-throughput clusters forming part of the MidPlus collaboration and time on the UK national supercomputer HECToR. We use these facilities to run simulations ranging from ab initio all-electron calculations, through molecular dynamics simulations involving large length and time scales, to reverse Monte Carlo modelling of experimental data.

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