SIESTA School (online): "First-principles simulations of materials with SIESTA"

We are pleased to announce the forthcoming school “First-principles simulations of materials with SIESTA”. The school will be held online in the week of June 28th - July 2nd, 2021.

The school web page is:

For general information and registration:

If you are interested in participating in the school you need to register via both the CECAM website and the MS Form above by the 4th June 2021.

The school is aimed at students and researchers from different disciplines who already use, or plan to use, first-principles techniques to simulate properties of matter at the atomic scale. In particular, the school will focus on the SIESTA method [1,2]. Participants will learn its essential theoretical foundations, and how to use the SIESTA code effectively. Pre- and post-processing tools will also be presented. The format of the school (completely online) allows for a flexible offering of modules of different levels, from basic to advanced, so that participants can adapt their syllabus. In addition, the material prepared for the school will be integrated into the corpus of SIESTA documentation, which will remain available for continuous learning.

The School will be formally held in the week of June 28th – July 2nd, 2021, but the week before participants are expected to watch pre-recorded lectures, prepare their local computer setup, and work on simple exercises. Throughout the School week, live meetings will be offered in two tracks (morning and afternoon in Central-European Summer Time) to try to adapt to an audience distributed over different time zones, and will consist of reviews of relevant concepts (with Q&A sections) and guided hands-on exercises. The live sessions will take place from 09:30 to 12:30 CEST (Track A) and from 16:00 to 19:00 CEST (Track B), with breaks. It is expected that two modules will be covered in each session.

An online support forum will be open before, during, and for some time after the canonical school dates to provide further guidance, to answer questions, and to facilitate discussions between school students and tutors.

Due to our finite resources, we can only handle a finite number of students in the live sessions, and hence we must limit the number of officially registered participants. Nevertheless, the material and some forum channels will be available at a later date also for those not officially admitted to the school.

The deadline for applications is the 4th June 2021. We will communicate our acceptance decisions by the 11th June. Accepted participants will be given access to the materials starting on the 21st June.

This school is organised in partnership with CECAM, and is also supported by the MaX Centre of Excellence [3].

With kind regards, the organisers.

[1] José M Soler, Emilio Artacho, Julian D Gale, Alberto García, Javier Junquera, Pablo Ordejón, Daniel Sánchez-Portal: “The SIESTA method for ab initio order-N materials simulation”, Journal of Physics: Condensed Matter 14 (11), 2745-2779 (2002).

[2] Alberto García, Nick Papior, Arsalan Akhtar, Emilio Artacho, Volker Blum, Emanuele Bosoni, Pedro Brandimarte, et al: “Siesta: Recent Developments and Applications”, Journal of Chemical Physics 152 (20), 204108 (2020).

[3] MAterials design at the eXascale, .