Meeting 2021

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Octopus developers workshop - 29 September - 1 October 2021

The fifth Octopus developers workshop will take place at the Max Planck Institute for the Dynamics and Structure of Matter, in Hamburg, Germany from September 29 to the October 1, 2021.

List of participants

  1. Angel Rubio
  2. Micael Oliveira
  3. Heiko Appel
  4. Christian Schaefer
  5. Kevin Lively
  6. Hannes Huebener
  7. Hans Fangohr
  8. Sebastian Ohlmann
  9. Mukhtar Lawan
  10. Wenwen Mao
  11. Aaron Kelly
  12. Zahra Nourbakhsh
  13. Andrey Geondzhian
  14. I-Te Lu
  15. Davis Welakuh Mbangheku
  16. Martin Lueders
  17. Franco Bonafé
  18. Esra Ilke Albar
  19. Sricharan RC
  20. Dongbin Shin
  21. John Bonini
  22. Johannes Flick
  23. Meisam Tabriz
  24. Nicolas Tancogne-Dejean
  25. Xavier Andrade
  26. Lukas Konecny
  27. Henning Glawe
  28. Matthieu Verstraete
  29. Johanna Fuks

Program

Wednesday Thursday Friday
Morning 09:00 Welcome

09:10 Micael

09:50 Martin

10:30 Coffee break

11:00 Testsuite and testfarm discussion

12:00 Nicolas (magnons)

12:30 Lunch

09:00 Nicolas (DFT+U+V)

09:30 Sebastian (GPU)

09:50 Franco

10:30 Coffee break

11:00 Ilke

11:15 Christian

12:00 (Theory Group photo)

13:00 Lunch

09:00 Xavier

09:45 Lukas

10:10 Mukhtar

10:30 Coffee break

11:00 General discussions

12:30 Lunch

Afternoon 14:00 Nicolas (exciton)

14:40 Micael (multi-system)

15:00 Multi-system discussion

16:00 Coffee break

16:30 Johanna

17:00 General discussions

14:30 Davis

15:10 Johannes

15:50 John Bonini

16:30 Coffee break

17:00 General discussions

Evening Workshop dinner

Talks:

  1. State of the UnionOctopus (Micael Oliveira)
  2. New web and documentation system (Martin Lueders)
  3. Time-dependent magnons from first principles (Nicolas Tancogne-Dejean)
  4. Time-resolved Exciton wave functions from time-dependent density functional theory (Nicolas Tancogne-Dejean)
  5. Multi-system implementation in Octopus (Micael Oliveira)
  6. Probing particle-particle correlation in harmonic traps with twisted light (Johanna Fuks)
  7. Effective electronic parameters from density-functional theory DFT+U and DFT+U+V (Nicolas Tancogne-Dejean)
  8. Octopus on GPU's (Sebastian Ohlmann)
  9. Embracing the new multisystem framework: Maxwell, DFTB+ and linear media systems (Franco Bonafé)
  10. Archimedean Spirals and Twisted Light (Ilke Albar)
  11. Modified chemistry via strong light-matter coupling and light-matter coupling via radiation-reaction forces (Christian Schaefer)
  12. Linear-response methods for strongly coupled light-matter systems (Davis Welakuh)
  13. Octopus and strong light-matter coupling (Johannes Flick)
  14. Ab initio linear-response approach to vibro-polaritons in the cavity Born-Oppenheimer approximation (John Bonini)
  15. INQ: a state-of-the art implementation of density functional theory for GPUs (Xavier Andrade)
  16. Relativistic electronic structure and core-level spectroscopies (Lukas Konecny)
  17. Simulation of Core levels Spectroscopy of Solids with Octopus (Mukhtar Lawan)

Discussions

These are topics we should discuss during the meeting.

  1. Next Octopus developers workshop
  2. Update to coding standards
  3. Updates to the test-farm and test-suites
  4. Multi-system roadmap
  5. Status and next steps of the multi-resolution project

Minutes

Coming soon.

Practical information

The meeting will be at the MPSD in Seminar Rooms SR I-III, except on Thursday, 9:00 to 15:00, were it will take place in Seminar rooms IV-V. You can find information how to reach it here.