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Psi-k / CECAM / CCP9 Graduate School in Electron ... (No replies)

Martin Lueders
9 years ago
Martin Lueders 9 years ago

This school is another incarnation of the very successful Psi-k / CECAM / CCP9 Biennial Graduate Schools. It is aimed towards giving beginning PhD students,

  • an understanding of the theories underlying electronic structure calculations
  • hands-on experience in electronic structure calculation codes, and
  • a perspective how these methods are used in state of the art research.

This Graduate School originated as an activity of the Psi-k Training Programme in the EU funded 'Series of Events' Marie Curie Conferences and Training Courses and was originally coordinated by CECAM. The most recent school was held in Oxford, September 9 - 14, 2013. The 2016 school will be held in Daresbury from September 5-9, 2016. There will be an indepth introduction to Density Functional and band structure theory, followed by tutorials on four different electronic structure methodologies. For each of the methods an introduction to the general underlying theory and specific code implementation will be followed by a hands-on session.

The electronic structure codes chosen for the 2016 School are:

  • ABINIT: a plane-wave pseudopotential method
  • ELK: an all-electron method
  • SIESTA: a local orbital order-N method
  • YAMBO: a method based on GW

Each method is introduced by two lectures followed by hands on experience with a modern state of the art code. This allows the students to become aware and comfortable with a range of different methods and provides a guide on how to choose the appropriate code for a particular problem.

More information and registration.




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