CCP researchers awarded over 75 million CPU-hours allocation on the top-10 supercomputer LUMI

Researchers in the Computational Chemical Physics (CCP) group at the Faculty of Science and Technology (TNW) have successfully secured a major computational grant from the EuroHPC Joint Undertaking. The highly competitive award provides the project with 591,200 node hours (or 75 million CPU hours) on the LUMI-C supercomputer, one of the most powerful and sustainable supercomputers in the world (currently ranking 9th globally).

The grant was awarded through the prestigious EuroHPC Extreme Scale Access Call, which evaluated 44 proposals from across Europe. The allocation provides Prof. Claudia Filippi and her collaborators - Dr. Ravindra Shinde, Dr. Emiel Slootman, and Dr. Alfonso Annarelli - with access to world-class high-performance computing (HPC) resources essential for conducting cutting-edge research.

The project "Learning from Quantum Monte Carlo Forces: From Flexible Molecules to Photoexcited Solids" will leverage the immense power of the LUMI supercomputer, located in Finland, to perform large-scale quantum Monte Carlo simulations of complex molecular and periodic systems. This substantial computational time will allow the team to investigate fundamental quantum mechanical processes with a level of detail and accuracy that is not achievable with conventional computing resources. The research is expected to provide key insights into fields such as materials science and photochemistry.

"We are incredibly excited to receive this allocation from EuroHPC," said Dr. Shinde. "Access to a world-class machine like LUMI will enable us to tackle complex scientific questions".

The project is set to begin in October 2025 and will run for a period of 12 months. This award highlights the pioneering research being conducted within the CCP group and reinforces the University of Twente's position at the forefront of computational science.