Our group works on the development of algorithms and software artefacts that leverage high-performance computing and AI and run on cutting-edge HPC machines, such as exascale supercomputers, to push the boundaries of what is currently achievable in computational science and innovation.

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Our vision is to integrate HPC, Big Data, AI and the Internet of Things (IoT) with STEM to enable transformative digital technologies that can augment or replace physical trial-and-error involved in R&D and monitoring of manufacturing operations, accelerating and rendering cheaper and more sustainable the entire lifecycle of industrial and research activities.

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Targeting the algorithms that underpin computational science software, the research in the group impacts a broad spectrum of application areas. Current application foci include artificial intelligence and machine learning, computational chemistry, material science, bioinformatics and applied mathematics.