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ABINIT School 2017 (No replies)

Boris
9 years ago
Boris 9 years ago
ABINIT SCHOOL 2017
New-comer Oriented School to Ab Initio Nanoscience Simulations
From Laptop to Supercomputers

 
January 30th - February 3rd, 2017

Très Grand Centre de Calcul du CEA (CEA Very Large Computing Center)
Bruyères le Châtel (South of Paris), France

website: http://school2017.abinit.org
contact: school2017@abinit.org

 
The 2017 edition of the ABINIT School is aimed at providing pratical guidelines that are relevant to an easy and efficient use of the electronic structure code ABINIT on large and complex systems. In particular, special care will be taken to:

1. Establish the connection between the code input parameters and the underlying physics of the systems studied.

2. Adapt the calculation parameters to the computing architecture, especially supercomputers.

Theoretical lectures and pratical hands-on sessions will be provided by experienced users who are specialized in using ABINIT on these specific systems. Optional labs will also be available for participants who wish to acquire additional skills related to more specialized topics, such as dynamical mean-field theory, phonon calculations on large systems, etc.

Topics covered:
- Easy and efficient installation of ABINIT
- Introduction to density functional theory (DFT)
- Speed-up and optimize DFT calculations: up to thousands of cpus
- Structure optimization and (ab initio) molecular dynamics calculations
- Post-processing and analyzing calculation results
- Tips and tricks for a further increase in accuracy and efficiency
- Advanced features: dynamical mean-field theory, density functional perturbation theory, path integral molecular dynamics, and others

Speakers:
- Bernard Amadon, Jordan Bieder, Boris Dorado, Francois Jollet, Gregory Geneste, and Marc Torrent (CEA, France)
- Xavier Gonze (UCL, Belgium)

Registration:
The school is opened to students, postdocs and researchers. The registration fee is 350€ and will cover lectures, accommodation and full board.

Registration deadline:
December 1st, 2016




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Ab initio (from electronic structure) calculation of complex processes in materials