My 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.
My ambition 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 my 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.
My passion is the development of high-performance algorithms and software artefacts that use cutting-edge HPC machines, such as exascale supercomputers, to push the boundaries of what is currently achievable in computational science.
My research agenda also focuses on devising transformative digital technologies that use HPC and AI to augment or replace R&D and manufacturing physical trial-and-error, minimizing time, costs and pollution of the entire lifecycle of industrial and research activities.
I am a Lecturer of High-Performance Computing (HPC) in the School of Computing at the Australian National University (ANU).
I hold a leadership role in large multi-institutional partnerships encompassing world-leading Australian and US universities, supercomputing facilities, and IT corporations. I am the leader of one of the Pawsey Centre for Extreme-scale Computing (PaCER) projects, a partner investigators for one of the Australasian Leadership Computing Grant, and the lead of GPU development for the GAMESS Exascale Computing Project.
In 2020 and 2021, using my algorithms on the fastest supercomputer on the planet, I broke the world record for the largest computational-driven chemical modellings of material structure, setting new standards in High-Performance Computing, and enabling the design of ground-breaking materials, catalysts, and drugs.
More information can be found on my group website.
Activities & Awards
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