Chemistry Institute spearheading EUR 6m multiscale simulation project

Ljubljana, 23 March - A new multiscale simulation project is up and running under the leadership of the National Institute of Chemistry, which will aim to build a research ecosystem for supercomputing and accelerate the transition to supercomputing resources. The MultiXscale Centre of Excellence involves 13 partners from academia and industry across Europe.

Matej Praprotnik from the National Institute of Chemistry, head of the MultiXscale project.
Photo: Daniel Novakovič/STA

Presentation of the MultiXscale project.
Photo: Daniel Novakovič/STA

The project, as part of which code will be developed to allow supercumputers to execute multiscale simulations, was set up within the framework of the EuroHPC, a joint European initiative for European High-Performance Computing.

Worth over EUR 6 million in total, the project comprises eight supercomputers located across Europe, one of which is the Vega supercomputer in Maribor.

The main objective is to increase performance, productivity and portability across the full spectrum of science and engineering where multiscale simulations are performed, the press heard in Ljubljana on Thursday.

Matej Praprotnik, the project's chief coordinator, explained that current applications require adaptations and that scientists presently lack the computational expertise to be able to harness the power of the supercomputers to come.

With the help of the centre, smaller groups of scientists, such as the 40-strong theoretical department at the National Institute of Chemistry, will come together to jointly develop code for this community, Praprotnik said.

Thus, MultiXscale will facilitate the transition to supercomputing resources for scientists and industrial users working in multiscale modelling.

Application developers will be able to drive domain-relevant scientific innovation without being overwhelmed by technical details, while industrial and academic application users will be able to effortlessly deploy leading-edge technologies on any computing resources they have access to.

To drive library and service development and demonstrate the scientific and industrial potential of true multiscale approaches, MultiXscale will pursue three pilot use cases of societal and industrial importance.

These are helicopter design and certification for civil transportation, battery applications to support the sustainable energy transition, and ultrasound for non-invasive diagnostics and biomedical applications.

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