Thanks to the supercomputers installed in ACK Cyfronet AGH, thousands of research projects are conducted, whose results exceed the current horizons of knowledge. Using multi-faceted data processing, scientists are able to model molecules or substances with desired properties, which is crucial for the development of biomedical engineering and the production of new materials. We are pleased to share two recent examples of such activities.
A Material Responsive to Molecular-Level Deformations
Scientists from AGH, India, and Japan have developed an intelligent material that changes colour under mechanical stress. This material can be used in monitoring construction structures, such as bridges, and in creating warning sensors for toxic fumes. Due to its sensitivity and low cost, it may become an alternative to advanced electronic sensors. The Polish team was led by Prof. Konrad Szaciłowski, Head of the Department of Photophysics and Electrochemistry of Semiconductors at the Academic Center for Materials and Nanotechnology AGH, and also a user of the PLGrid infrastructure, using Cyfronet supercomputers in his research. The new material was described in the article "Mechanochromism and aggregation-induced emission in a fluorene-fumaronitrile-based molecular system: The influence of supramolecular control on donor-acceptor interaction" and published in Journal of Luminescence. We invite you to read the detailed AGH press release explaining the areas where intelligent materials can be applied and why research on them is so important.
An AI-Based Platform for Exploring Protein Structures
Recent breakthroughs in protein structure prediction have led to an increase in the number of high-quality 3D models, emphasising the need for efficient computational solutions. A team of researchers representing Sano – Centre for Computational Medicine, Jagiellonian University's Malopolska Centre of Biotechnology, and foreign institutions has presented an interactive online platform that organises the largest global databases of protein structures. The platform is available online under open access, making it possible to contribute to the development of research in medicine and broadly understood bioengineering. Due to its high scientific level, the article on the team's activities was published in Nature Communications. The acknowledgements section mentions Cyfronet and PLGrid, highlighting that Polish researchers actively use supercomputers for world-class research. More information in press releases on the websites of Malopolska Centre of Biotechnology and Sano.
Use Supercomputers in Research
Supercomputers allow the execution of calculations that would take many years using a single computer to be completed in a few hours or days. Cyfronet users benefit from professional support – from training to individual expert consultations. Information about the resources of ACK Cyfronet AGH available within the PLGrid infrastructure can be found here.
