10th Users' Conference of IT4Innovations

Session

Users' Talks II

5 Nov 2026, 16:30

atrium (IT4Innovations)

5. Using HyperQueue to run multiple ATLAS workloads at IT4Innovations

Dr Michal Svatoš (FZU, AV CR)

05/11/2026, 16:30

Physics (e.g. High-Energy Physics, Plasma Physics, Quantum Physics)

User's talk

The distributed computing system of the ATLAS experiment at the Large Hadron Collider (LHC) uses computing resources of IT4Innovations for several years. So far, only selected workloads were used, i.e. those most suitable for many-core environment. The computing needs of the experiment do change and with that there is a need to be able to run more workloads. The HyperQueue, a tool designed to...

34. FrAMonC – Fragment-based Ab Initio Monte Carlo simulations of structural and thermodynamic properties of amorphous molecular materials

Ctirad Cervinka

05/11/2026, 16:50

Materials Science (e.g. Computational Chemistry, Materials Engineering, Nanomaterials)

User's talk

Delicate interplay of non-covalent interactions (NCI) governs the properties and phase behavior of molecular materials, being unprecedentedly rich already for the simplest molecules, such as water. Existing first-principles methods enable to model properties and polymorphism of molecular solids at least qualitatively [1]. However, those methods still frequently fail to yield at least...

4. Small dust particle bombardment of a fuzz covered W surface

Peter Klaver (VSB Technical University of Ostrava)

05/11/2026, 17:10

Materials Science (e.g. Computational Chemistry, Materials Engineering, Nanomaterials)

User's talk

We present large scale molecular dynamics simulations of medium and high velocity W dust particle (10 - 40 nm diameter) impacts on fuzz covered W surfaces, as will likely occur in future fusion energy reactors. Results show that the commonly held intuition, that fuzz structures are fragile, is wrong. Nanorods are ductile due to their small dimensions and they undergo extensive plastic...