Summer School: From Supramolecular Chemistry to Structural Biology by Multiscale Modelling Methods
Computer simulations have become a valuable tool for expanding our knowledge in many areas. Steadily increasing performance of supercomputers or even desktop computers allows us to simulate bigger systems or achieve higher accuracy employing routine simulations. However, proper predictions can only be obtained if correct models and theoretical approaches are employed.
Summer School: From Supramolecular Chemistry to Structural Biology by Multiscale Modelling Methods
Computer simulations have become a valuable tool for expanding our knowledge in many areas. Steadily increasing performance of supercomputers or even desktop computers allows us to simulate bigger systems or achieve higher accuracy employing routine simulations. However, proper predictions can only be obtained if correct models and theoretical approaches are employed. Thus, this course aims to provide essential foundations for performing computer simulations and how to avoid typical errors coming from misunderstanding employed approximations. The lectures will span the vast range of molecular modeling methods addressing problems from supramolecular chemistry to structural biology. The course will be composed of theoretical lectures complemented by practical sessions exercising typical simulation techniques in each discipline. This course is particularly suited for bachelor and masters students who are interested in continuing their studies into a PhD and a career in research.
Watch the recording of the webinar MATLAB in a Nutshell9 Oct-Ak ste nestihli septembrový webinár MATLAB v kocke, prinášame vám jeho kompletný záznam. Podujatie predstavilo prostredie MATLAB – výkonný inžiniersky nástroj a interaktívne prostredie určené na vedecké a technické výpočty, analýzu a spracovanie dát, vizualizáciu a tvorbu algoritmov.
All Hands Meeting in Estonia30 Sep-V dňoch 23. – 25. septembra 2025 sa zástupkyne Národného kompetenčného centra pre HPC Halyna Hyryavets a Lucia Malíčková zúčastnili záverečnej konferencie projektov CASTIEL2, EuroCC2, EuroCC4SEE a Centier excelentnosti (CoEs), ktorá sa konala v Tallinne v Estónsku.
MATLAB WORKSHOP: Scaling Algorithms and Simulations Using Parallel Computing 25 Sep-Computationally intensive tasks, processing large volumes of data, and repeated simulation runs are everyday challenges in both science and industry. Modern approaches make it possible to significantly accelerate these processes by leveraging parallel computing and available hardware resources – from multiple CPU cores to GPU acceleration. MATLAB and Simulink offer a wide range of possibilities to efficiently utilize these resources without the need for specialized knowledge of GPU programming or complex HPC solutions.