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8th Users' Conference of IT4Innovations

4–5 Nov 2024
IT4Innovations
Europe/Prague timezone

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Session

Users' Talks IV

5 Nov 2024, 09:30
atrium (IT4Innovations)

atrium

IT4Innovations

Studentská 6231/1B 708 00 Ostrava-Poruba

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  1. 232. Collimated γ-flash radiation via laser-target interaction
    Dr Martin Matys (Extreme Light Infrastructure ERIC / ELI Beamlines Facility)
    05/11/2024, 09:30
    Users' talks
    User's talk

    The interaction of high-power lasers with targets provides a way to produce γ-photon beams [1,2]. In this work we demonstrate via three-dimensional particle-in-cell simulations a regime where emission of a collimated γ-photon beam occurs for oblique laser incidence angles on the flat target. The electromagnetic field accelerates electrons to the gigaelectronvolt energy level. Consequently,...

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  2. 206. State-Averaged Orbital-Optimized VQE: Enhancing Quantum Simulations for Ground and Excited States
    Silvie Illésová (IT4Innovations)
    05/11/2024, 09:50
    Users' talks
    User's talk

    In this presentation, we delve into the State-Averaged Orbital-Optimized Variational Quantum Eigensolver (SA-OO-VQE), a hybrid quantum-classical algorithm designed to provide a balanced and accurate description of both ground and excited electronic states. SA-OO-VQE leverages state-averaged orbital optimization to effectively handle degenerate and quasi-degenerate states, overcoming common...

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  3. 214. “But it works on my machine”- escaping dependency hell through containerization for faster deployment in high-throughput docking benchmarks
    Dominik Suwala (Faculty of Pharmacy in Hradec Kralove, Charles University)
    05/11/2024, 10:10
    Users' talks
    User's talk

    Docking is a computational method which searches through conformational space to find an optimal pose of a molecule in a specified environment within a protein target. It is designed to scan vast libraries of molecules against proteins to recreate binding geometry which is later used in drug design.
    There are a lot of docking engines available, and it is of utmost importance to choose the...

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  4. 201. Cratering of Tungsten Walls Under High-Velocity Dust Impacts
    Prashant Dwivedi (Czech Technical University)
    05/11/2024, 10:30
    Users' talks
    User's talk

    In fusion reactors, the durability of plasma-facing components (PFCs) is heavily compromised by the impacts of high-velocity tungsten (W) dust, particularly during extreme events such as runaway electron terminations. These incidents can propel dust particles at velocities reaching several kilometers per second, leading to significant material erosion and structural damage. While existing...

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