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CECAM school on code development March 27-31 Lau ... (No replies)

1 year ago
mverstra 1 year ago

Dear Psi-kers,

Software underlies all of our daily tasks as numerical physicists, chemists, and materials scientists. Yet, most of us have only limited training in formal informatics, and usually learn by hacking our way along, or not at all. Modern DFT and electronic structure codes are large scale efforts, and contributing to them or developing new codes now requires advanced training.

In this light, we are organizing the fourth iteration of a school on the basics of software development, specifically for electronic structure.


This is targeted to get PhD students and Post-docs up to speed with cutting-edge tools to manage, test and maintain high-quality, reliable software, but also to enable senior researchers who want to go mainstream with existing projects. The goal is not to teach you a programming language like C or Fortran, but rather to provide you with all of the infrastructure for sustainable and scalable software development. Topics covered include advanced python, autotools and makefiles, concurrent version systems, parallelism, debugging, libraries and compilers. The first two days are split between basic and advanced classes.

The School will be held at the CECAM headquarters in Lausanne Switzerland from 27-31 March 2017. The number of participants is limited by space and to provide in-depth attention and discussions, and will be attributed on a first come basis.

Registration and details at:


All the best for 2017,

on behalf of the organizers

Matthieu Verstraete

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