Course “Electronic-structure simulations for user communities at large-scale facilities” | April 3/4/7/9 2025 |CEST – PSI Auditorium
4-day course
The Laboratory for Materials Simulations (LMS), part of the PSI Center for Scientific Computing, Theory, and Data (CSD), is organizing a 4-day focused course on: “Electronic-structure simulations for user communities at large-scale facilities”.
Objectives
The objective of the course is to provide a gentle introduction to the current capabilities in electronic-structure simulations for materials, having as key target audience experimentalists working at large-scale facilities. The course will also discuss how to access these capabilities and run simulations through user-friendly web interfaces. All the software and infrastructure is open-source, is currently deployed at PSI, and can be redeployed freely anywhere else.
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 done at PSI, together with Giovanni Pizzi, and is dedicated 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).
Information
All information is at https://indico.psi.ch/event/17436/ ; everything is streamed, and based on open-source software (from AiiDAlab to Quantum ESPRESSO); those that register (not needed) would receive eventual updates. At this time we cannot offer interactive help for those in remote, but it should all be self-explanatory and reliable.
