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3rd Users' Conference of IT4Innovations

5–6 Nov 2019
IT4Innovations
Europe/Prague timezone

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Session

Users` Talks I - Chairman: Branislav Jansík - IT4Innovations

5 Nov 2019, 12:00
atrium (IT4Innovations)

atrium

IT4Innovations

Studentská 1B 708 33 Ostrava - Poruba

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  1. 25. Effects of liquid water on the stability and reactivity of zeolites
    Mr Andreas Erlebach (Department of Physical and Macromolecular Chemistry, Charles University, Prague)
    05/11/2019, 12:00
    Users' talks
    User's talk

    Zeolites are traditionally used in high-temperature applications at low water vapor pressures, such as heterogeneous catalysis and gas separation, where the zeolite framework is generally considered to be stable and static. Increasingly, zeolites are being considered for applications under milder aqueous conditions, in emerging fields such as biomass conversion, low-temperature oxidation...

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  2. 54. HPC aspects of microscale urban climate modelling
    Dr Pavel Krc (Institute of Computer Science, CAS)
    05/11/2019, 12:15
    Users' talks
    User's talk

    PALM is an open-source large-eddy simulation model with strong focus on parallelization and HPC computing. The members of the atmospheric modelling group at the Institute of Computer Science (ICS) of the Czech Academy of Sciences successfully extended this model with the Urban Surface Module (USM) and Radiative Transfer Module (RTM), which simulate processes necessary for microscale urban...

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  3. 10. Benzene radical anion in the context of the Birch reduction: when solvation is the key
    Krystof Brezina (Faculty of Mathematics and Physics, Charles University)
    05/11/2019, 12:30
    Users' talks
    User's talk

    The symmetry of the molecular structure of the benzene radical anion ($C_6H_6^{\bullet -}$) leads to a rich and intriguing palette of quantum behavior manifestations. Moreover, this simplest aromatic anion possesses a great importance in organic chemistry. In particular, one of the most well-known appearances in this field is as the first reactive intermediate in the Birch reduction used to...

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  4. 36. Modelling of lattice defects in advanced materials
    Jana Pavlů (1 Department of Chemistry, Faculty of Science, Masaryk University, Kotlářská 2, CZ-611 37 Brno, Czech Republic; 2 CEITEC - Central European Institute of Technology, Masaryk University, Kamenice 753/5, CZ-625 00 Brno, Czech Republic; 3 Institute of Physics of Materials, Academy of Sciences of the Czech Republic, Žižkova 22, CZ-616 62 Brno, Czech Republic)
    05/11/2019, 12:45
    Users' talks
    User's talk

    These days, the effective development of new materials is a priority of research and industry in modern society. However, the basic description of material structure is insufficient to achieve detailed understanding of behaviour of many advanced materials. Here the studies of structure defects become more and more important. At this level of research, the theoretical modelling, such as ab...

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  5. 60. Effects of liquid water on the stability and reactivity of zeolites
    Andreas Erlebach (Department of Physical and Macromolecular Chemistry, Charles University, Prague)
    User's talk
  6. 61. HPC aspects of microscale urban climate modelling
    Pavel Krc (Institute of Computer Science, CAS)
    User's talk
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