Name: 7th Users' Conference of IT4Innovations
Start: 2023-10-30T10:00:00+01:00
End: 2023-10-31T14:00:00+01:00
Location: IT4Innovations

7th Users' Conference of IT4Innovations

from Monday, October 30, 2023 (10:00 AM) to Tuesday, October 31, 2023 (2:00 PM)

Monday, October 30, 2023

10:00 AM

10:00 AM - 11:00 AM
Room: atrium

11:00 AM

11:00 AM - 11:30 AM
Room: atrium
11:30 AM
11:30 AM - 12:00 PM
Room: atrium
Contributions

11:30 AM The first CACHE challenge: searching for hit molecules in ultra-large chemical databases - Pavel Polishchuk (IMTM, Palacky University)
12:00 PM
12:00 PM - 1:00 PM
Room: atrium
Contributions

12:00 PM Extramedullary multiple myeloma: insights into pathogenesis and tumor microenvironment using whole exome, RNA and single-cell sequencing - David Žihala (Department of Hematooncology, Faculty of Medicine, University of Ostrava, Ostrava, Czech Republic; Department of Hematooncology , University Hospital Ostrava, Ostrava, Czech Republic)

12:20 PM Quantum chemistry and machine learning for computer-aided drug design - Jan Řezáč (UOCHB AV ČR)

12:40 PM Atomistic simulations of ancient ribosomes and their parts - Michal H. Kolar (University of Chemistry and Technology)
1:00 PM

1:00 PM - 2:00 PM
Room: atrium
2:00 PM
2:00 PM - 3:00 PM
Room: atrium
Contributions

2:00 PM Interactions of Ionizable and Cell Membrane Lipids - Petra Čechová (Regional Centre of Advanced Technologies and Materials, Czech Advanced Technology and Research Institute (CATRIN), Palacký University Olomouc: Olomouc, CZ)

2:20 PM Biocompatibility of carbon nanomaterials from an in-silico perspective - Markéta Paloncýová (Regional Centre of Advanced Technologies and Materials, Czech Advanced Technology and Research Institute (CATRIN), Palacký University Olomouc)

2:40 PM Benchmark of time-dependent density functional theory simulations on a variety of European CPU-based supercomputers - Thibault J.-Y. Derrien (HiLASE Centre - Institute of Physics)
3:00 PM

3:00 PM - 4:00 PM
Room: atrium

4:00 PM

4:00 PM - 4:30 PM
Room: atrium
4:30 PM
4:30 PM - 5:00 PM
Room: atrium
Contributions

4:30 PM Cinematic Visualization of Large Scientific Data Sets - Marketa Faltynkova
5:00 PM
5:00 PM - 6:20 PM
Room: atrium
Contributions

5:00 PM Karolina system energy efficiency optimization - Ondřej Vysocký (IT4Innovations)

5:20 PM A first principles study of structural and optoelectronic properties and photocatalytic performance of GeC- MX2 (M = Mo and W; X= S and Se) van der Waals heterostructures - Tahir wahab (Czech Technical University in Prague)

5:40 PM Employing supercomputers to determine the local structure of framework and extra-framework species and to subsequently evaluate their NMR parameters for comparison with experiments - Stepan Sklenak (J. Heyrovsky Institute of Physical Chemistry)

6:00 PM Generating coupled cluster code for modern distributed memory tensor software - Jan Brandejs (Laboratoire de Chimie et Physique Quantiques, CNRS)
6:20 PM

6:20 PM - 9:00 PM
Room: atrium
Tuesday, October 31, 2023
9:00 AM
9:00 AM - 9:30 AM
Room: atrium
Contributions

9:00 AM Plasma shutter for laser-driven ion acceleration and spiral pulse generation - Martin Matys (ELI Beamlines)
9:30 AM
9:30 AM - 10:50 AM
Room: atrium
Contributions

9:30 AM Numerical Simulations at Karolina for Advancing Research at ELI NP - Vojtěch Horný (Extreme Light Infrastructure - Nuclear Physics)

9:50 AM Testing the accuracy of random-phase approximation for molecular solids - Jiri Klimes (Faculty of Mathematics and Physics, Charles University)

10:10 AM Quantum mechanical insights into the optical properties of carbon dots - Miroslav Medveď (RCPTM, CATRIN, Palacky University Olomouc, Czech Republic)

10:30 AM MoS2 crystallization via Reactive Molecular Dynamics Simulations - Ilia Ponomarev (Czech Technical University in Prague)
10:50 AM

10:50 AM - 11:00 AM
Room: atrium
11:00 AM
11:00 AM - 12:00 PM
Room: atrium
Contributions

11:00 AM Interatomic interactions in the vicinity of lattice defects in intermetallics - Martin Zelený (Faculty of Mechanical Engineering, Brno University of Technology)

11:20 AM Magneto-elastic properties calculation via computational high-throughput approach - Dominik Legut (IT4I)

11:40 AM Structural Tuning of Band Gap in Doped Diamonds - Matúš Kaintz (Czech Technical University in Prague)
12:00 PM

12:00 PM - 1:00 PM
Room: atrium

Choose timezone