Scientific Calendar Event



Description
A Hands-on Tutorial on Electronic Structure Computations will be organized in the week following the 15th International Workshop on Computational Physics and Materials Science:
Total Energy and Force Methods, January 17-21, 2011. 

Advanced topics like electronic transport, excitations (TDDFT and GW) and NRM computations will be treated.  Students and young postdocs with a proven experience in standard DFT computations may participate in this tutorial.
 
The Tutorial is open only for participants of the Workshop.
Go to day
  • Monday, 17 January 2011
    • 09:00 - 09:20 Welcome and general comments about QE
      Stefano Baroni - SISSA, Trieste, Italy
      Location: Adriatico Guest House Giambiagi Lecture Hall
      • 09:00 Welcome and general comments about QE 20'
    • 09:20 - 10:30 Installation, parallelization, ground-state computations
      Paolo Giannozzi - Universita' di Udine, Udine, Italy and Shobhana Narasimhan - Jawaharlal Nehru Centre for Advanced Scientific Research, Banglalore, India
      • 09:20 Installation, parallelization, ground-state computations 1h10'
        Material: lecture notes
    • 10:30 - 10:50 Break
      Location: Adriatico Guest House (Lower Level 1)
      • 10:30 Break 20'
    • 10:50 - 12:30 Installation, parallelization, ground-state computations
      Paolo Giannozzi - Universita' di Udine, Udine, Italy and Shobhana Narasimhan - Jawaharlal Nehru Centre for Advanced Scientific Research, Banglalore, India
      • 10:50 Installation, parallelization, ground-state computations 1h40'
        Material: Tutorials
    • 12:30 - 14:00 Lunch Break
      Location: Adriatico Guest House Cafeteria
      • 12:30 Lunch Break 1h30'
    • 14:00 - 15:30 X-ray absorption
      Matteo Calandra - Universite' de Paris Pierre et Marie Curie, Paris, France
    • 15:30 - 15:50 Coffee Break
      Location: Adriatico Guest House Cafeteria
      • 15:30 Coffee Break 20'
    • 15:50 - 17:30 X-ray absorption
      Matteo Calandra - Universite' de Paris Pierre et Marie Curie, Paris, France 
      • 15:50 X-ray absorption 1h40'
  • Tuesday, 18 January 2011
    • 09:00 - 10:30 Phonons
      Stefano Baroni, SISSA, Trieste, Italy and Paolo Giannozzi, Universita' di Udine, Udine, Italy
    • 10:30 - 10:50 Break
      Location: Adriatico Guest House (Lower Level 1)
      • 10:30 Break 20'
    • 10:50 - 12:30 Phonons
      Stefano Baroni, SISSA, Trieste, Italy and Paolo Giannozzi, Universita' di Udine, Udine, Italy 
      • 10:50 Phonons 1h40'
    • 12:30 - 14:00 Lunch Break
      Location: Adriatico Guest House Cafeteria
      • 12:30 Lunch Break 1h30'
    • 14:00 - 15:30 Car-Parrinello MD
      Sandro Scandolo - ICTP
      • 14:00 Car-Parrinello MD 1h30'
    • 15:30 - 15:50 Coffee Break
      Location: Adriatico Guest House Cafeteria
      • 15:30 Coffee Break 20'
    • 15:50 - 17:30 Car-Parrinello MD
      Sandro Scandolo - ICTP
      • 15:50 Car-Parrinello MD 1h40'
  • Wednesday, 19 January 2011
    • 09:00 - 10:30 NMR and EPR computations
      Stefano de Gironcoli and Emine Kuçukbenli - SISSA, Trieste, Italy
    • 10:30 - 10:50 Break
      Location: Adriatico Guest House (Lower Level 1)
      • 10:30 Break 20'
    • 10:50 - 12:30 NMR and EPR computations
      Stefano de Gironcoli and Emine Kuçukbenli - SISSA, Trieste, Italy
    • 12:30 - 14:00 Lunch Break
      Location: Adriatico Guest House Cafeteria
      • 12:30 Lunch Break 1h30'
    • 14:00 - 15:30 NMR and EPR computations
      Stefano de Gironcoli and Emine Kuçukbenli - SISSA, Trieste, Italy
    • 15:30 - 15:50 Coffee Break
      Location: Adriatico Guest House Cafeteria
      • 15:30 Coffee Break 20'
    • 15:50 - 17:30 NMR and EPR computations
      Stefano de Gironcoli and Emine Kuçukbenli - SISSA, Trieste, Italy
      • 15:50 NMR and EPR computations 1h40'
  • Thursday, 20 January 2011
    • 09:00 - 10:30 Time-dependent DFT
      Ralph Gebauer - ICTP
    • 10:30 - 10:50 Break
      Location: Adriatico Guest House (Lower Level 1)
      • 10:30 Break 20'
    • 10:50 - 12:30 Time-dependent DFT
      Ralph Gebauer - ICTP
      • 10:50 Time-dependent DFT 1h40'
    • 12:30 - 14:00 Lunch Break
      Location: Adriatico Guest House Cafeteria
      • 12:30 Lunch Break 1h30'
    • 14:00 - 15:30 Transport with Wannier functions
      Nicola Marzari - Department of Materials, University of Oxford, Oxford, UK
    • 15:30 - 15:50 Coffee Break
      Location: Adriatico Guest House Cafeteria
      • 15:30 Coffee Break 20'
    • 15:50 - 17:30 Transport with Wannier functions
      Nicola Marzari - Department of Materials, University of Oxford, Oxford, UK 
      • 15:50 Transport with Wannier functions 1h40'
  • Friday, 21 January 2011
    • 09:00 - 10:30 GW + BSE
      Layla Martin-Samos, SISSA, Trieste, Italy and Paolo Umari, CNR INFM Democritos, Trieste, Italy
      • 09:00 GW + BSE 1h30'
    • 10:30 - 10:50 Break
      Location: Adriatico Guest House (Lower Level 1)
      • 10:30 Break 20'
    • 10:50 - 12:30 GW + BSE
      Layla Martin-Samos, SISSA, Trieste, Italy and Paolo Umari, CNR INFM Democritos, Trieste, Italy
      • 10:50 GW + BSE 1h40'
    • 12:30 - 14:00 Lunch Break
      Location: Adriatico Guest House Cafeteria
      • 12:30 Lunch Break 1h30'
    • 14:00 - 15:30 GW + BSE
      Layla Martin-Samos, SISSA, Trieste, Italy and Paolo Umari, CNR INFM Democritos, Trieste, Italy
      • 14:00 GW + BSE 1h30'
    • 15:30 - 15:50 Coffee Break
      Location: Adriatico Guest House Cafeteria
      • 15:30 Coffee Break 20'
    • 15:50 - 16:30 GW + BSE
      Layla Martin-Samos, SISSA, Trieste, Italy and Paolo Umari, CNR INFM Democritos, Trieste, Italy
      • 15:50 GW + BSE 40'
    • 16:30 - 16:45 Closing Session
      • 16:30 Closing Session 15'