The National Chemistry
Chemical Crystallography Symposium 2023
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The HPC Lab


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.

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.

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.