[QE-users] Efficient materials modelling on HPC with QUANTUM ESPRESSO, SIESTA and Yambo (Online)

[Juliana Maria Abreu Da Silva Morbec]

Dear Oscar.

I am interested in some parts of workshop but due to some personal and professional commitments I will not be able to attend it fully. I was wondering if the material will be made available online so that I can watch it out of the workshop hours and if I will need to register to have access to them.

Thank you.
Regards,

Juliana
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Dr Juliana Morbec
Lecturer in Physics | FHEA
PGR Lead School of Chemical and Physical Sciences | Year One Tutor (Physics and Astrophysics)
Research on Computational Materials Science
School of Chemical and Physical Sciences | Keele University, Keele, Staffordshire, UK ST5 5BG
https://www.keele.ac.uk/scps/ourpeople/physicsandastrophysics/julianamorbec/
https://jmmorbec.wordpress.com/
https://scholar.google.com/citations?user=t1limn0AAAAJ&hl=en
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Oscar Baseggio <obaseggi at sissa.it>
Sent: 17 January 2024 14:00
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Subject: [QE-users] Efficient materials modelling on HPC with QUANTUM ESPRESSO, SIESTA and Yambo (Online)

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Dear QE users,

We are pleased to announce an upcoming training event for users that live and work in the European Union or in country associated with Horizon 2020.

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## Efficient materials modelling on HPC with QUANTUM ESPRESSO, SIESTA and Yambo

Abstract: In recent years, computing technologies underlying materials modelling and electronic structure calculation have evolved rapidly. High-performance computing (HPC) is transitioning from petascale to exascale, while individual compute nodes are increasingly based on heterogeneous architectures that every year become more diversified due to different vendor choices. In this environment, electronic structure codes also have to evolve fast in order to adapt to new hardware facilities. Nowadays, state-of-the-art electronic structure codes based on modern density functional theory (DFT) methods allow treating realistic molecular systems with a very high accuracy.

This workshop will give a broad overview of important fundamental concepts for molecular and materials modelling on HPC, with a focus on three of the most modern codes for electronic structure calculations (QUANTUM ESPRESSO, SIESTA and Yambo). Participants will put their new knowledge to the test on the Leonardo EuroHPC JU supercomputer (https://leonardo-supercomputer.cineca.eu/hpc-system/) with theory sections and practical demonstrations and hands-on exercises.

Detailed information at ENCCS (https://enccs.se/events/2024-03-efficient-materials-modelling-on-hpc/) webpage.

Time: March 11-15, 9:00-13:00 (2024).

Link to the registration: https://events.prace-ri.eu/event/1551/registrations/1124/

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best,
Oscar

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