Kategórie
General

Can we exploit the HPC possibilities in basic research effectively?

Dňa 12. októbra 2021 sa na Výpočtovom stredisku Slovenskej akadémie vied uskutočnila druhá prednáška zo série „Superpočítanie vo vede“.
Pavel Neogrády z Katedry fyzikálnej a teoretickej chémie Prírodovedeckej fakulty UK nám priblížil veľmi presné výpočtové metódy teoretickej chémie na popis chemických systémov a ich komplexnosť a numerickú náročnosť. Mnohí používatelia HPC na Slovensku pracujú vo svojom výskume práve s aplikáciami, ktoré využívajú tieto algoritmy. Ako vývojár niektorých metód používaných v chemickom modelovaní sa podelil aj o skúsenosti s efektívnou paralelizáciou softvéru a opísal hlavné prekážky v implementácii.

Can we exploit the HPC possibilities in basic research effectively?

On October 12, 2021 the second lecture of our „Supercomputing in science“ series took place on the premises of the Computational centre of the Slovak Academy of Sciences  Pavel Neogrády from the Department of physical and theoretical chemistry of the Faculty of Natural Sciences CU talked about highly accurate computational methods in the field of theoretical chemistry and about their complexity and numerical intricacies.

There are a lot of HPC users in Slovakia that work with this type of applications and algorithms in their research. As one of the developers of chemical modelling methods Pavel also elaborated on his experience with effective software parallelization and described the main issues in the implementation. Although the computational cost of these methods is prohibitive for modelling larger systems, they are used for calibrating of other methods capable of describing and predicting properties of complex molecules, such as new drugs or materials.

Lecture series is a joint activity of the Computer museum COO SAS and National Competence Center for HPC. NCC, as the primary contact point for HPC in Slovakia, covers, among other things, educational and dissemination activities in this area.

You can watch the recording of the event on Facebook and YouTube and you can already register for our next lectures. Schedule and registration:

More information about the series

Registration

Building International Cooperation in HPC: Visit to ITER Tenerife and Teide HPC 17 Jul - At the beginning of July 2025, Lucia Malíčková, representative of the National Supercomputing Centre (NSCC) and the National Competence Centre for High-Performance Computing (NCC for HPC), had the opportunity to visit the renowned technological and research institution ITER – Instituto Tecnológico y de Energías Renovables, S.A. on the island of Tenerife. As part of the working visit, she met with the center’s director Carlos Suarez and Jesús Rodríguez Alamo to discuss opportunities for establishing cooperation in the field of high-performance computing (HPC), research, development, and innovation using advanced technological infrastructures.
Meeting with Michal Valko, expert on large language models 15 Jul - The National Supercomputing Centre and the National Competence Centre for HPC, represented by Lucia Malíčková, met with prominent Slovak scientist Michal Valko, who is among the world’s leading experts in artificial intelligence and machine learning. They discussed opportunities for future collaboration, with a particular focus on leveraging Slovakia’s HPC capacities to support advanced research in large language models and algorithms that require minimal human feedback.
Data, Theology and HPC: A Collaboration Seeking Paths to Understanding 8 Jul - Continuing our collaboration with the Faculty of Theology at Trnava University! The National Supercomputing Centre (NSCC) and the National Competence Centre for HPC will continue their collaboration with the Faculty of Theology at Trnava University in 2025. Following a successful joint study that demonstrated the potential of artificial intelligence and high-performance computing in the analysis of religious texts, representatives of both institutions met again to identify new areas and opportunities for future joint projects.