…vivo studies in infants and children are prohibited, in vitro studies very limited therefore in silico (computational modeling) is a promising way. For that we need extremely powerful computers to allow for high number of control volumes reaching an order of 100 million to approach Direct numerical simulation. This could be enabled using lattice Boltzmann technique instead of solving Navier-Stokes equations.
…prestižní celosvětovou cenu Webby Awards. leden Úspěch při podávání mezinárodního H2020 projektu LEXIS (Large-scale EXecution for Industry & Society) do oblasti „ICT-11-2018-2019: HPC and Big Data enabled Large-scale Test-beds and Applications“. Projekt byl přijat k financování s počátkem v lednu 2019. IT4Innovations je koordinátorem tohoto projektu, do kterého je zapojeno 15 dalších mezinárodních partnerů.
…types of graphene-TM carbide/nitride heterostructure with different interface spacing and with different thickness of graphene layer; 2) ab initio derived ideal strength and Peierls stress of graphene-TM carbide/nitride heterostructure, and the corresponding mechanism, e.g., Friedel oscillations, electronic structure instabilities, etc. that are responsible for these upper limits of strength and stress.
…of zeolite catalysts in order to carry out very specific syntheses of high-value chemicals. Periodic DFT methods permit investigations of properties of zeolite-based catalysts which are needed for their fine-tuning. DFT calculations are complementary to experimental examinations and together they can provide more complex knowledge of the properties of the studied catalysts and the reactions they catalyze.
…in glycosylation is a key prerequisite for the understanding of complex biological processes and medical applications. This project focuses on the study of the reaction mechanism of a glycosyltransferase with the use of state-of-the-art QM/MM molecular dynamics methods. Employing the quantum chemistry methods allows us to study the reaction mechanism and find the transition state with high precision.
…and phonon modes for control of magnetism. Řešitel: Eugen Hruska OPEN-30-9 Predicting drug candidate metabolism Karolina CPU Alloc=478; Karolina GPU Alloc=300 Drug metabolism estimation plays a vital role during the development of pharmaceutically active compounds. To improve the reliability of computational drug metabolism prediction, high-throughput physics-driven ab initio calculations will be performed.
…well resolve all processes during such short time interval. Thus, numerical simulations are indispensable tool for this scientific research. However, such simulations in real 3D geometry, which enables to assess important multidimensional effects, are very demanding on computational resources. To investigate acceleration regimes in detail, we plan to use particle tracking in our multidimensional simulations.
…screen a large number of compounds). In this project, we will explore whether density functional theory, which is a much more efficient method typically including empirical parameters, can be used in place of the aforementioned expensive methods to describe 1D and 2D systems. This will be done by applying the concept of nonempirical tuning, developed for describing molecules, to 1D and 2D periodic systems.
…to obtain a solution to the Schrödinger equation while avoiding numerically challenging calculations needed in classical computation to this equation. The outcomes of this project will help scientists investigate atomic states using less computational power and will also open the door to investigation more complex atomic systems that could not be solved using classical methods of numerical mathematics.
…time. There is also a strong interaction between simulated phenomena which are limiting the application of a suitable computational method. For this applications are asked accurate model of turbulent flow field which can be obtained by using complex turbulence models such as LES or hybrid RANS-LES turbulence model. These project is supported by by the Technology Agency of Czech Republic (grant no. FW01010519).
…different behaviour was observed in each of the aforementioned configurations, mainly in the spatial distribution of visible light radiation sources in the plasma. The goal of this project is to investigate the differences and attempt to explain the underlying physics, which requires the coupling of the experimental data with simulations of the scrape-off layer (SOL) plasma using the SOLPS-ITER code.
…a rural one (NOURBAN). Besides, we also used three different options for the microphysics and convective schemes. We expect to show that the inclusion of urban canopy schemes leads to an increase in temperature and a decrease in wind speed as well as to changes in other relevant meteorological values such as cloudiness and precipitation, which also depend on the microphysics and convective scheme used.
…the Fe sites with Ta. This fact shows some similarities with the effect of enhancing MAE in Fe_{2}Hf, by substituting some sites of Fe with Sb. In this project, we propose a systematic investigation of the MAE of Fe_{2}A Laves phases alloyed with a substitutional element B, where A = Ta, Hf, Nb, Mo, Cr, Zr and B = Sb, Sn, by using electronic structure calculations based on the density functional theory.
…is focused on three types of Transformers: (1) Encoders are suitable for text classification tasks (RoBERTa [1]), (2) Decoders are suitable for generation of text (GPT-2 [2]) and (3) Encoder-Decoder models solve text-to-text problems (T5 [3]). Our models have already scored state-of-the-art results in several Czech NLP tasks, including text classification [4], sentiment analysis [5] or post-processing of…
…150 000 jádrohodin Abstrakt: The project is focused on numerical modeling of flow around objects in the atmospheric boundary layer. This issue is complicated mainly due to the atmospheric turbulence, which requires the use of advanced numerical models of the flow coupled with detailed computational mesh of the domain. This research will contribute to bigger efficiency in design of building structures.
…2nd generation wafer-scale engine technology. The highly integrated HPAI system based on an extreme number of sparse linear algebra optimised cores, promises outstanding training performance for neural network designs with limited scalability. We plan to evaluate this technology together with selected users regarding user experience, application performance and to explore different operations models.
…open software platform has created a port of TensorFlow, which will allow us to utilize AMD HPC resources for our research. We aim to create benchmarks that will serve as a baseline for LUMI users, and also allow us to compare them with the same benchmarks ran on the Karolina supercomputer. For this purpose, we will train popular deep learning architecture on different tasks and gather various metrics.
…while preserving the content. This enables applications such as artistic rendering, photo editing, and visual effects. (ii) Temporal super-resolution involves enhancing the temporal resolution of a video sequence, creating intermediate frames between existing frames to generate a smoother and more detailed video. This has applications in video restoration, slow-motion video generation, and video compression.
…zájem o studium na VŠ. Zvyšuje kapacity řídících pracovníků VŠ a zvyšuje kvalitu strategického řízení VŠ. Hlavním cílem projektu je zvýšit relevanci vzdělávacích aktivit VŠB-TUO pro potřeby trhu práce. To znamená dosáhnout stavu, kdy vzdělávací aktivity univerzity jsou v souladu s potřebami a specifiky trhu MSK a všech cílových skupin. Věda bez hranic 2.0 Číslo projektu: CZ.02.2.69/0.0/0.0/18_053/0016985 Projekt…
…Vyrozumění proběhne elektronicky, na e-mailovou adresu uvedenou v žádosti. Povinné poděkování u dosažených výstupů: This work was supported by the Ministry of Education, Youth and Sports of the Czech Republic through the e-INFRA CZ (ID:90254). Pro správné přiřazení e-INFRA CZ k výsledkům VaV při exportu do RIV vizte POVINNOSTI UŽIVATELE. Termín vyhlášení další Veřejné grantové soutěže: červen 2024
…výstupů: This work was supported by the Ministry of Education, Youth and Sports of the Czech Republic through the e-INFRA CZ (ID:90254). Pro správné přiřazení e-INFRA CZ k výsledkům VaV při exportu do RIV vizte POVINNOSTI UŽIVATELE. Termín vyhlášení další Veřejné grantové soutěže: červen 2024 multi-year přístupy O projekty si můžete zažádat také formou „multi-year“ přístupů, v rámci kterých jsou výpočetní prostředky…
…with subsequent limited validation to unveil the interconnection and the influence of individual RPB segments on CO2 capture and to optimize their capture efficiency. Due to practically impossibility of experiments inside the packing, 3D CFD simulations using Volume of Fluid technique with a limited validation by own experiments is the only way how to recognize and optimize processes in the entire RPB.
…OpenMP a MPI. V této fázi se se zaměří na další optimalizace kódu a jeho testování na nové generaci procesorů Intel Xeon Phi (Knights Landing, KNL). Cílem projektu je vyvinout efektivní knihovnu pro rychlé řešení hraničních integrálních rovnic. Vědci se budou zabývat vektorizací sestavení systémových matic a paralelizací v distribuované paměti. BEM4I bude možné využít při řešení reálných inženýrských problémů…
…NOVÝCH LÉKŮ Výzva: 10. Veřejná grantová soutěž Hlavní řešitel: prof. Ing. Pavel Hobza, DrSc., FRSC Instituce: Ústav organické chemie a biochemie Akademie věd ČR Oblast: Materiálové vědy Prof. Pavel Hobza z Ústavu organické chemie a biochemie Akademie věd České republiky se zabývá počítačovými návrhy nových léků. Jeho projekt „In silico drug design“ získal 7 425 000 jádrohodin v rámci 10. Veřejné grantové…
…odpovídajících na otázku: „Co se stane, když...?“ Systém aktuálně integruje: hydrologické modelování sledování aktuální dopravní situace modelování úniku nebezpečných látek monitorování mobility obyvatel https://floreon.vsb.cz Analýzy biologických obrazů Jsme zapojeni do výzkumu zpracování rozsáhlých biologických dat pomocí vysokovýkonných výpočetních systémů (HPC). Výzkum je zaměřen na paralelizaci zpracování…
…s fotografií Pokud jsou tyto údaje zasílány e-mailem, tento musí být elektronicky podepsán. Bližší informace v dokumentaci. Acceptable Use Policy Uživatelé podepisují dokument Acceptable Use Policy (AUP). Účelem tohoto dokumentu je stanovit pravidla a podmínky, kterými se řídí přijatelné využití zdrojů (jádrohodiny, licenční hodiny, kapacita pro uložení dat, připojení k síti a technickou podporu), včetně přístupu,…