MᴀX

SIESTA school 2021

Playlist with some of the lectures of the online school "First-principles simulations of materials with SIESTA2 (28th June - 2nd July 2021). For the complete list of lectures (including some that are not part of this channel) please see https://siesta-project.org/siesta/events/SIESTA_School-2021/Lectures.html[order][{"id":"65a405cfe4b08f2db4342ac2","name":"Some internals of the SIESTA method (part 1)","description":"","created":"Sun Jan 14 16:03:27 UTC 2024","thumbnail":"65a407b1e4b08f2db4342b95","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"},{"id":"65a40610e4b08f2db4342ad4","name":"Some internals of the SIESTA method (part 2)","description":"","created":"Sun Jan 14 16:04:32 UTC 2024","thumbnail":"65a4094ce4b08f2db4342bf6","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"},{"id":"65a40619e4b08f2db4342ae0","name":"The pseudopotential concept","description":"","created":"Sun Jan 14 16:04:41 UTC 2024","thumbnail":"65a412eee4b08f2db4342d63","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"},{"id":"65a40635e4b08f2db4342af1","name":"Basis sets for SIESTA: I. Non-orthogonal representations and LCAO","description":"","created":"Sun Jan 14 16:05:09 UTC 2024","thumbnail":"65a40a8fe4b08f2db4342c48","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"},{"id":"65a4063ce4b08f2db4342af9","name":"Basis sets for SIESTA: II. Finite support numerical bases used in SIESTA","description":"","created":"Sun Jan 14 16:05:16 UTC 2024","thumbnail":"65a40c15e4b08f2db4342c9f","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"},{"id":"65a40649e4b08f2db4342b00","name":"SIESTA postprocessing: an overview","description":"","created":"Sun Jan 14 16:05:29 UTC 2024","thumbnail":"65a41802e4b08f2db4342e95","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"},{"id":"65a40658e4b08f2db4342b0f","name":"Post-processing tools for SIESTA crystal structure, vibrations and grid properties","description":"","created":"Sun Jan 14 16:05:44 UTC 2024","thumbnail":"65a41c58e4b08f2db4342f69","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"},{"id":"65a40664e4b08f2db4342b18","name":"Post-processing tools for analysis of lattice dynamics following SIESTA+Vibra calculation","description":"","created":"Sun Jan 14 16:05:56 UTC 2024","thumbnail":"65a41646e4b08f2db4342e26","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"},{"id":"65a4066de4b08f2db4342b28","name":"Spin-Orbit Coupling","description":"","created":"Sun Jan 14 16:06:05 UTC 2024","thumbnail":null,"authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"},{"id":"65a40681e4b08f2db4342b2f","name":"Introduction to TDDFT","description":"","created":"Sun Jan 14 16:06:25 UTC 2024","thumbnail":"65a41a43e4b08f2db4342efc","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"},{"id":"65a4068be4b08f2db4342b38","name":"The AiiDA-SIESTA plugin","description":"","created":"Sun Jan 14 16:06:35 UTC 2024","thumbnail":"65a4146ae4b08f2db4342dc6","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62a88721e4b0cc21d431faaf"],"resource_type":"dataset"}][endorder]

MᴀX Webinars

AiiDA and Materials Cloud tutorials

This section contains a list of AiiDA and Materials Cloud tutorials.

Quantum ESPRESSO schools

Video recordings and educational material from past schools on Quantum ESPRESSO.

Talks introducing FLEUR

Here you find a collection of talks used in the Online Hands-on tutorial 2021 to introduce FLEUR MaXR5.1. In most cases pdf-files of the transparencies are also provided.

YAMBO SCHOOL

The aim of this school is to equip students with the essential knowledge, practical skills and computational tools needed to tackle today’s novel and challenging problems in materials science and non-equilibrium physics. During the school the students will be introduced to many-body perturbation theory (MBPT) approaches, including advanced concepts, for modelling non-equilibrium phenomena from first principles. The main topics covered include the GW approximation for quasiparticle corrections and the Bethe-Salpeter Equation (BSE) for excitons, with a focus on recent developments in the YAMBO code. Furthermore, we will introduce the specific usage of the code in massively parallel environments equipped with modern accelerated video cards (GPUs).

Efficient materials modelling on HPC

Title: Efficient materials modelling on HPC with QUANTUM ESPRESSO, Yambo and BigDFT
Description: 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. However, due to the increased complexity of the codes, some extra skills are required from users in order to fully exploit their potential. 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, Yambo and BigDFT).