Chemistry

75 million CPU hours on LUMI for quantum Monte Carlo forces

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1 min read

Our EuroHPC project, Learning from Quantum Monte Carlo Forces, has been awarded 75 million CPU hours on the LUMI supercomputer.

🎉 We are thrilled to announce that my Computational Chemical Physics group has secured a major high-performance computing grant from the EuroHPC Joint Undertaking.

The project “Learning from Quantum Monte Carlo Forces: From Flexible Molecules to Photoexcited Solids” has been awarded an incredible 75 million CPU hours on the world-leading LUMI supercomputer! This highly competitive allocation will provide the massive computational power needed to tackle grand challenges in chemistry and materials science.

The team of Prof. Claudia Filippi, Prof. Saverio Moroni, Emiel Slootman, Alfonso Annarelli, and I will use this resource to perform advanced quantum Monte Carlo simulations to generate benchmark data to train new machine learning models, as well as to explore everything from the behavior of flexible molecules to the intricate ways materials respond to light.

This is a fantastic recognition of the cutting-edge research happening at the University of Twente. Congratulations to the team on this outstanding achievement! 🎉

About the Author

Dr. Ravindra Shinde
Dr. Ravindra Shinde

I'm Dr. Ravindra Shinde, a computational physicist and quantum chemist. My work spans quantum chemistry, condensed matter physics, AI for materials, and scientific computing: I use and develop electronic-structure methods to understand how electrons shape the properties of molecules and materials, and I build the software that makes those calculations possible.

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