3rd Users' Conference of IT4Innovations

from Tuesday, 5 November 2019 (01:00) to Wednesday, 6 November 2019 (13:00)
IT4Innovations (atrium)

        : Sessions
    /     : Talks
        : Breaks
5 Nov 2019
6 Nov 2019
Registration and networking (until 11:00) (atrium)
Welcome and IT4Innovations news - Branislav Jansík, IT4Innovations (until 11:30) (atrium)
Keynote I (until 12:00) (atrium)
11:30 2D magnetic semiconductors - a power of HPC to predict - Dominik Legut (IT4I)   (atrium)
Keynote 3 (until 09:30) (atrium)
09:00 Double layer target with interface modulations for laser acceleration of collimated ion beams - Mr Martin Matys (ELI Beamlines / CTU in Prague)   (atrium)
Users` Talks IV - Chairman Jiří Jaroš - Brno University of Technology (until 10:15) (atrium)
09:30 Toward ab initio protein folding - Dr Martin Culka (Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague)   (atrium)
09:45 Helium-based plasma interactions with air molecules - Martin Beseda (IT4Innovations, VSB-TUO)   (atrium)
10:00 How Do Atomistic Simulations of Huge Biomolecular Complexes Help Us Understand Protein Birth and Death? - Michal H. Kolar (University of Chemistry and Technology)   (atrium)
10:15 --- Coffee Break ---
Users` Talk V - Chairman Martin Matys - Czech Technical University in Prague / Czech Academy of Sciences (until 11:30) (atrium)
10:30 Continuum and atomistic assessment of crack stability in nanocomponents - Dr Petr Šesták (Central European Institute of Technology, Brno University of Technology)   (atrium)
10:45 Thermal conductivity of nuclear fuels from first principles - Mr Lukáš Kývala (IT4Innovation)   (atrium)
11:00 Nanoscale frictional properties of ordered and disordered molybdenum disulfide - Paolo Nicolini (Czech Technical University in Prague)   (atrium)
11:15 Rendering on an HPC cluster with R-a-a-S - Petr Strakos (IT4Innovations)   (atrium)
Lunch (until 13:00) (atrium)
Users` Talks I - Chairman: Branislav Jansík - IT4Innovations (until 13:00) (atrium)
12:00 Effects of liquid water on the stability and reactivity of zeolites - Mr Andreas Erlebach (Department of Physical and Macromolecular Chemistry, Charles University, Prague)   (atrium)
12:15 HPC aspects of microscale urban climate modelling - Dr Pavel Krc (Institute of Computer Science, CAS)   (atrium)
12:30 Benzene radical anion in the context of the Birch reduction: when solvation is the key - Krystof Brezina (Faculty of Mathematics and Physics, Charles University)   (atrium)
12:45 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)   (atrium)
Lunch (until 14:00) (atrium)
Users' Talks II - Chairman Paolo Nicolini - Czech Technical University in Prague (until 14:45) (atrium)
14:00 Theoretical study of effect of segregated impurities on the structure and properties of grain boundaries in Ni3Fe - Monika Všianská (Masaryk University, Faculty of Science, Department of Chemistry)   (atrium)
14:15 Accurate calculation of the binding strength of methane clathrate - Jiri Klimes (Faculty of Mathematics and Physics, Charles University)   (atrium)
14:30 Alloy analogy model: Finite-temperature description of magnetic solids - Dr David Wagenknecht (Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University)   (atrium)
Users' Council (until 15:30) (atrium)
Coffee break (until 16:00) (atrium)
Keynote II (until 16:30) (atrium)
16:00 Ultrasound Simulation for Transcranial Neurostimulation - Jiri Jaros (Brno University of Technology)   (atrium)
Users' Talks III - Chairman Tomas Kozubek - IT4Innovations (until 18:00) (atrium)
16:30 Propene adsorption in alkali metal-exchanged FER zeolite - Miroslav Rubes (IOCB, AS, CR)   (atrium)
16:45 IT4I Satellite SAR Interferometry Monitoring System - Milan Lazecky (IT4Innovations)   (atrium)
17:00 Application of quantum-mechanical computational methods to computer-aided drug design - Prof. Jan Řezáč (UOCHB)   (atrium)
17:15 Sparse Quantum Monte Carlo sampling for two-particle Green’s functions - Dr Dominique Geffroy (Masaryk University, Brno)   (atrium)
17:30 Periodic DFT study of siting of divalent cations in silicon-rich zeolites - Dr Stepan Sklenak (J. Heyrovsky Institute of Physical Chemistry)   (atrium)
17:45 Reaction Mechanism of Non-Heme Diiron Δ9-Desaturase: Why Does it Desaturate and Not Hydroxylate? - Dr Lubomir Rulisek   (atrium)
Conference Dinner & Poster Session (until 21:00) (atrium)