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Case Study

Combined codes for chemistry research

Iridis distributed memory computing cluster can handle the vast calculations needed to develop new methodologies in scientific research, including chemistry.


Solving unsteady fluid flows with Hyperflux

An Innovate UK- and EPSRC-funded project called Hyperflux is bringing together industry and academia to tackle the problem of modeling unsteady fluid flow. Peter Vincent, …


Slowing the ageing process

By 2024, it’s estimated that over half of the population of the UK will be over 50 years old. That statistic has implications both for …

Case Study

From biodiesel to detergents

At the University of Oxford, Nathalie Willems is using the Emerald supercomputer in research that could bring about major benefits in a number of industrial …


Patient-specific Drug Choice

Choosing the right drug for a patient with cancer is a complicated challenge. There is such a wide range of options, and it can be …


Stable compounds of Gallium, Indium and Thallium in the +2 oxidation state

In a paper published in Nature Chemistry, a team of experimental chemists from the Universities of Oxford, Monash and Queensland, in collaboration with computational chemists …


Modelling mutations for cancer cure

The p53 tumour suppressor protein, when it works properly, helps to prevent cancer. It does so by inducing the arrest of the cell cycle, by …

Case Study

Powering innovation with HPC

Access to academic facilities like the Emerald supercomputer is vital to the success of new start ups in the High Performance Computing field, says Jamil …


Designing better drugs, faster

Chris Skylaris, Reader in Computational Chemistry at the University of Southampton, develops quantum mechanical calculations for chemistry simulation and drug discovery. He has developed a …