NCC for HPC at CHEMSHOW
On June 27, 2023 an event "CHEMSHOW" took place in the premises of the Faculty of Chemical and Food Technology (FCHPT) of the Slovak Technical University (STU). During the event, they also had the opportunity to learn more about the National Competence Centre for HPC and its activities. Experts presented services NCC for HPC. Through an interactive demonstration of simulations of potential drugs against the Covid-19 disease, we brought the participants closer to what calculations supercomputers can be used for. Participants could watch the simulations on a screen and through 3D glasses.
At the chemshow, we presented the results of calculations of the interaction of potential drugs with the active part of the spike-protein unit, which forms tetramers present on the surface of the SARS-CoV2 virus, which causes the disease COVID19. Calculations were carried out using molecular mechanics methods using the GROMACS software. Six potential drugs were tested in the study. In this presentation, we mainly showed the trajectory of one of them. High school students had the opportunity to view the results on a projection with 3D glasses, where they could interactively change their view and protein display settings.
MATLAB in a Nutshell: System Capabilities in Examples and Applications 11 Sep - Pozývame Vás na webinár „MATLAB v kocke“, ktorý priblíži prostredie MATLAB a jeho široké možnosti využitia. MATLAB je výkonný inžiniersky nástroj a interaktívne prostredie určené na vedecké a technické výpočty, analýzu a spracovanie dát, vizualizáciu a tvorbu algoritmov. V priebehu seminára sa účastníci oboznámia so základným rozhraním MATLABu, spôsobom jeho fungovania a praktickým využitím pri riešení rôznych úloh. Predstavená bude aj nadstavba Simulink, ktorá umožňuje modelovanie a simuláciu dynamických systémov alebo modelovanie algoritmov.
How to Communicate Science and Technology Effectively: Our Team’s Experience 22 Aug - Our team has long been dedicated not only to the development of high-performance computing, but also to the effective communication of the results and opportunities we bring to industry, academia, and the next generation of researchers. We consider this a key part of our work – a modern scientific and technological institution today cannot operate in isolation but must be able to clearly and transparently communicate the value and impact of its activities.
HPC and MATLAB: A Strong Partnership for Accessible Supercomputing 19 Aug - Minulý týždeň sa uskutočnilo zaujímavé pracovné stretnutie, na ktorom sa Lucia Malíčková, zastrešujúca Národné superpočítačové centrum a Národné kompetenčné centrum pre HPC, stretla s Martinom Foltínom zo spoločnosti HUMUSOFT s.r.o., oficiálneho distribútora MathWorks.