Meeting 2012

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Octopus developers meeting - 22/23 October 2012

The first octopus developers meeting will take place at the LPMCN in Lyon, France on the 22 and 23 of October 2012 (seminar room at the ground floor of the LIPPMAN building). It will consist of a "scientific" day dedicated to recent or future scientific developments, and a "technical" day to discuss all technical issues related to paralellization, libraries, efficiency, etc.

List of participants

  1. Miguel Marques
  2. Alberto Castro
  3. Xavier Andrade
  4. Silvana Botti
  5. Nicole Helbig
  6. Micael Oliveira
  7. David Strubbe
  8. Joseba Alberdi
  9. Umberto De Giovannini
  10. Lorenzo Stella
  11. Matthieu Verstraete
  12. Theodoros Papadopoulos
  13. Fernando Nogueira
  14. Ask Hjorth Larsen
  15. Iris Theophilou
  16. Luigi Genovese (Tuesday)
  17. Alejandro Varas
  18. Guillermo Avendaño


Please add your name here (and a tentative title) if you intend to give a presentation at the meeting

Scientific day (Oct 22, starting at 10h30)

  1. Umberto De Giovannini - photoelectron spectroscopy with octopus
  2. Nicole Helbig - modelmb, how to treat more particles in fewer dimensions
  3. David Strubbe - nonlinear optics, periodic systems, and the Sternheimer equation
  4. Xavier Andrade - Compressed sensing in the simulation of atomic systems
  5. Ask Hjorth Larsen - Complex DFT
  6. Micael Oliveira - The Xe3+ mystery: an Octopus story
  7. Guillermo Avendaño - Atomic collisions with TDDFT

Technical day (Oct 23, starting at 9h30)

  1. Miguel Marques - libxc, a library of exchange-correlation functionals
  2. Nicole Helbig - RDMFT in Octopus
  3. Xavier Andrade - GPU support in Octopus
  4. Luigi Genovese - BigDFT
  5. Joseba Alberdi - Scalability of the Poisson solvers
  6. Micael Oliveira - PSPIO, a library for pseudopotential I/O
  7. David Strubbe - Octopus and BerkeleyGW, matrix formulations of linear response

Wishlist for Santa Octo-Claus

  1. provide more tutorials for different features
  2. update FAQ on website
  3. xc kernels other than LDA
  4. asymptotics of functionals, remove special treatment of LB94 from libxc
  5. improve HF implementation, mixing of the orbitals or density matrices
  6. remove old lcao code
  7. include PAW into octopus
  8. solids