University of Jyväskylä

A significant European computing grant for investigations of nanometals

Partnership for Advanced Computing in Europe (PRACE) organization has awarded 20 million core hours for the project NANOMETALS by Academy Professor Hannu Häkkinen from the Nanoscience Center at the University of Jyväskylä. The project runs for the next 12 months in the Barcelona Supercomputing Center (BSC-CNS) and focuses on large-scale density functional theory calculations to investigate the electronic structure of atomically precise ligand-stabilized noble metal nanoclusters in the limit where the clusters become metallic. The research aims at correlating measured properties of novel nanomaterials to their atomic and electronic structure via simulations of scanning tunnelling microscopy images, current tunnelling properties and optical response. Understanding these issues is important for future design of nano-structured materials and devices made out of metal nanocluster building blocks.

PRACE is a non-profit association of 24 European member countries that promotes high-performance computing by awarding significant computational resources to scientific projects based on annual calls for proposals that go through a peer-review evaluation.

Atom-precise structures of some of the noble metal nanoclusters that are going to be studied in the NANOMETALS project. Photo: Sami Malola from Nanoscience Center at the University of Jyväskylä.

This is already the third significant supercomputing grant that my group has received through  competitive proposals evaluation from the PRACE organization since 2012, and it will enable an intense collaboration with my experimental colleagues in Xiamen University, China, where many of the cluster systems that we are computationally investigating are synthesized“, Hannu Häkkinen comments.

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