Computer simulations predicted structure of gold cluster that chops carbon dioxide

A doctoral dissertation taking place today at University of Jyväskylä, Finland, shows successful computer simulations that were able to predict the atom-precise structure of a cluster comprising 11 gold atoms. Later, the compound was observed to speed up decomposition of carbon dioxide. In his research M.Sc. Sami Kaappa used computer simulations to study properties of nanosized particles.

Artificial intelligence helps to predict hybrid nanoparticle structures

Researchers at the Nanoscience Center and Faculty of Information Technology in the University of Jyväskylä, Finland, have achieved a significant step forward in predicting atomic structures of hybrid nanoparticles. The work was carried out using supercomputing resources at CSC – IT Center for Science Ltd., Finland and at the Barcelona supercomputing center (BSC), Spain, as a part of a PRACE (Partnership for Advanced Computing in Europe) project.

Executive Summary of PRACEdays19

PRACE sixth edition of its Scientific and Industrial Conference – PRACEdays19 was part of the EuroHPC Summit Week 2019 (EHPCSW 2019) from 13 to 17 May 2019, in Poznań, Poland. The entire week was organised by PRACE, EXDCI-2 and ETP4HPC. PRACE’s Polish Member, the Poznań Supercomputing and Networking Center (PSNC), hosted the EuroHPC Summit Week. More than 360 participants joined plenary sessions, parallel sessions, and discussions to tackle the important topics facing science, industry and the HPC landscape. To get the spirit of this interesting conference, please read the PRACEdays19 Executive Summary below.