A very good summary, supported by hard data, of all what plagues academia and makes an academic job too often an abusive relationship. Toxic culture, insane competition, temporary contracts…. ⁦WOinActie⁩ nature.com/articles/d4158…

ARC Tracker Jason Clare MP This is killing basic science.

An accidental encounter at ourANU spawned #QDX - a new #tech company, founded by Giuseppe Barca and Loong bio/acc. It is paving the way for new medical treatments by coding #supercomputers to predict chemical reactions inside the human body. bit.ly/3uoZmUW

🚀 Our Digital Matter Transformation (DMT) Lab at the University of Melbourne (Computer Science) has officially launched its website: dmtlab.org! Dive into our research endeavours at the forefront HPC, AI and digital chemistry! #compchem #HPC #ai

Our latest paper "High-Performance Multi-GPU Analytic RI-MP2 Energy Gradients" is now online on JCTC. Check it out! pubs.acs.org/doi/10.1021/ac…

Sharing our latest paper, "Multi-GPU RI-HF Energies and Analytic Gradients─Toward High-Throughput Ab Initio Molecular Dynamics", now published in JCTC! We introduce an optimized multi-GPU algorithm for high-throughput RI-Hartree-Fock energy, analytical gradients, and NVE AIMD

This week teaching at the European Summer School in Quantum Chemistry at the beautiful Torre Normanna (Sicily) #ESQC #ESQC2024 #CompChem

The cat is out of the bag! Our team is officially one of the six finalists for the Association for Computing Machinery 2024 #GordonBellPrize—the highest award in high-performance computing. 🏆 Looking forward to discussing more about what we have achieved at SC25 2024 in November! Read

Sharing some initial results from our recent runs of Ab Initio Molecular Dynamics (AIMD) using EXESS on the ALPS (CSCS Lugano ) supercomputer, pushing up to 4096 GH200 NVIDIA superchips. All calculations were performed in double-precision (FP64) at the AIMD/MBE3/RI-HF plus

An eight-member team has received the 2024 ACM #GordonBellPrize for their project, "Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials." Paper: bit.ly/4fxIjT5 Learn more: bit.ly/3OiehXp

🏆 Huge congratulations to a team of Frontier users led by University of Melbourne for winning the 2024 Gordon Bell Prize for their groundbreaking #quantum molecular dynamics simulation! 🎉 Congratulations to all the winners today at SC25 #SC24!

Congratulations to ANU School of Computing team on winning this year’s Gordon Bell Prize SC25

Congratulations to ANU School of Computing team on winning the 2024 Gordon Bell Prize! SC25

Honoured to receive the 2025 Dirac Medal from @WATOC. This is a shared achievement with my teams at @unimelb and ANU School of Computing, our collaborators, and mentors—thank you all. More here: unimelb.me/4d2JCJn CompChemBio Bot 💻💊🧬🤖