Towards Exascale Computational Quantum Mechanics




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 investigator 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.

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Topic: Mathematics and Computational Sciences Seminar Series 
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