Dear all,
we'll be streaming a 4-lecture course on April 3/4/7/9 on
"Electronic-structure simulations for user communities at large scale
facilities".
This is organized by Giovanni Pizzi and myself, and is dedicated mostly
to experimental colleagues, providing a gentle overview on the current
status of theory and capabilities, and hands-ons on automated
simulations (structure relaxations, band structures, density of states,
phonons, infrared/Raman spectra, inelastic neutron scattering, muon
stopping sites, and more). All is based on Quantum ESPRESSO via the
AiiDAlab GUI.
While the course is held at PSI (Switzerland), everything is streamed as
a Zoom webinar (we cannot offer interactive help for those in remote,
but it should all be self-explanatory and reliable).
All information is at https://indico.psi.ch/event/17436/, including how
to register (by March 30th) and the webinar link (while registration is
not needed, it makes it easy for us to send updates on the online material).
Feel alsous free to disseminate the website above or the school poster:
https://indico.psi.ch/event/17436/attachments/30080/58757/poster-school-PSI-2025.pdf
Many thanks!
Nicola Marzari and Giovanni Pizzi
Support during the hands-on sessions will be given by Edan Bainglass,
Miki Bonacci, Timo Reents, and Xing Wang (PSI); and Andres
Ortega-Guerrero (Empa)
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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, SNSF
Laboratory Head, PSI Center for Scientific Computing, Theory, and Data
Contact info and websites at http://theossrv1.epfl.ch/Main/Contact
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