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Barca group at UMelb

@exess-gbarca

This is the BlueSky account for the Extreme-scale Electronic Structure System (EXESS) quantum chemistry software and the Barca group at the University of Melbourne. Account is run by Jorge.

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Posts 28.11.2024
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Latest posts by Barca group at UMelb @exess-gbarca

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Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials | Proceedings of the International Conference for High Performance Computing,...

feel free to look at the paper and let's start a conversation! We'll be posting here whenever EXESS starts to be deployed. #compchem #HPC #ChemSky

29.11.2024 03:06 👍 2 🔁 1 💬 0 📌 0
The ANU and UMelb team receiving the Gordon Bell prize at SC24. The background reads the title of the paper "breaking the million electron and 1 EFLOP/s barriers: biomolecular-scale ab initio molecular dynamics using MP2 potentials

The ANU and UMelb team receiving the Gordon Bell prize at SC24. The background reads the title of the paper "breaking the million electron and 1 EFLOP/s barriers: biomolecular-scale ab initio molecular dynamics using MP2 potentials

Hi all, greetings from Australia! We're delighted to announce that on November 21st the team was awarded the Gordon Bell prize from our breakthrough AIMD simulations using MP2 potentials! The software behind this is EXESS, which we're working to make available for free to academics around the world!

29.11.2024 03:06 👍 11 🔁 3 💬 1 📌 0