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Hands on Training School on Molecular and Material Science GRID Applications | (smr 2201)
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  • Monday, 29 March 2010
    • 08:30 - 09:30 Registration and Administrative Formalities 
      Office no. 4, Adriatico Guest House, Lower Level 1
      Location: Adriatico Guest House (Lower Level 1)
      • 08:30 Registration and Administrative Formalities 1h0'
    • 09:30 - 10:15 Introduction to the School and to GRID computing
      • 09:30 Introduction to the School and to GRID computing 45'
        Speaker: S.Cozzini (Democritos and Sissa/eLab, Trieste, Italy)
        Material: slides
    • 10:15 - 11:00 From EGEE to EGI and the role of specialized support centres
      • 10:15 From EGEE to EGI and the role of specialized support centres 45'
        Speaker: A.Lagana (University of Perugia, Italy)
        Material: slides
    • 11:00 - 11:30 Coffee break
      • 11:00 Coffee break 30'
    • 11:30 - 12:15 Material Science applications on the GRID within EU-IndiaGrid project
      • 11:30 Material Science applications on the GRID within EU-IndiaGrid project 45'
        Speaker: S. Blundell (CEA Grenoble, France)
        Material: slides
    • 12:15 - 13:00 Participants' short presentation 
      Each of the participants is requested to briefly (2/3 minutes 1/2 slides ) present the computational problem and/or application he/she would like to solve on the GRID.
      • 12:15 Participants' short presentation 45'
    • 13:00 - 14:30 Lunch
      • 13:00 Lunch 1h30'
    • 14:30 - 16:00 How to use GRID infrastructures (first part) 
      Short presentations with interactive hands on sessions
      • 14:30 How to use GRID infrastructures (first part) 1h30'
    • 16:00 - 16:30 Coffee Break
      • 16:00 Coffee Break 30'
    • 16:30 - 19:00 How to use GRID infrastructures (second part) 
      Short presentations with interactive hands on sessions
      • 16:30 How to use GRID infrastructures (second part) 2h30'
        Speaker: elab team
    • 19:00 - 21:00 School Welcome Reception
      Location: Adriatico Guest House Cafeteria
      • 19:00 School Welcome Reception 2h0'
  • Tuesday, 30 March 2010
    • 09:00 - 09:45 Quantum chemistry calculations and the grid
      • 09:00 Quantum chemistry calculations and the grid 45'
        Speaker: M. Sterzel (CSS Cyfronet, Krakow, Poland)
        Material: misc slides
    • 09:45 - 10:30 Q5cost formats for quantum chemistry data
      • 09:45 Q5cost formats for quantum chemistry data 45'
        Speaker: S. Evangelisti (Lab. de Chimie et Physique Quantiques, Toulouse, France)
    • 10:30 - 11:00 Coffee Break
      • 10:30 Coffee Break 30'
    • 11:00 - 11:45 Quantum dynamics on the grid and D5 formats
      • 11:00 Quantum dynamics on the grid and D5 formats 45'
        Speaker: S. Rampino (University of Perugia, Italy)
        Material: slides
    • 11:45 - 12:30 Molecular dynamics on the Grid
      • 11:45 Molecular dynamics on the Grid 45'
        Speaker: A. Costantini (University of Perugia, Italy)
        Material: slides
    • 12:30 - 14:00 Lunch
      • 12:30 Lunch 1h30'
    • 14:00 - 14:45 How to port computational applications on the GRID
      • 14:00 How to port computational applications on the GRID 45'
        Speaker: S.Cozzini (Democritos and Sissa/eLab, Trieste, Italy)
        Material: slides
    • 14:45 - 16:00 Q5 tutorial
      • 14:45 Q5 tutorial 1h15'
        Speaker: S. Evangelisti (Lab. de Chimie et Physique Quantiques, Toulouse, France)
    • 16:00 - 16:30 Coffee Break
      • 16:00 Coffee Break 30'
    • 16:30 - 18:30 Lab session I 
      Participants are supposed to analyze the computational problem they want to solve on a grid infrastructure and start identifying the right techniques and tools to solve it.
      • 16:30 Lab session I 2h0'
  • Wednesday, 31 March 2010
    • 09:00 - 09:45 Cambridge experiences in material science within EU-IndiaGrid project
      • 09:00 Cambridge experiences in material science within EU-IndiaGrid project 45'
        Speaker: P. Murray-Rust (Un. Cambridge, Dept. of Chemistry, Cambridge, U.K.)
    • 09:45 - 10:30 Phonon calculation using Q/E suite on the GRID
      • 09:45 Phonon calculation using Q/E suite on the GRID 45'
        Speaker: Paolo Giannozzi (University of Udine and Democritos, Italy)
        Material: slides
    • 10:30 - 11:00 Coffee Break
      • 10:30 Coffee Break 30'
    • 11:00 - 11:45 Quantum-Espresso package and tools for materials science applications
      • 11:00 Quantum-Espresso package and tools for materials science applications 45'
        Speaker: Layla Martin-Samos (Democritos, Trieste, Italy)
        Material: slides
    • 11:45 - 12:30 Enea experiences on material science
      • 11:45 Enea experiences on material science 45'
        Speaker: M. Celino (ENEA - Cre Casaccia, Roma, Italy)
        Material: slides
    • 12:30 - 14:00 Lunch Break
      • 12:30 Lunch Break 1h30'
    • 14:00 - 16:00 Lab session II 
      Participants are working on their own specific problems with the help of tutors
      • 14:00 Lab session II 2h0'
    • 16:00 - 16:30 Coffee Break
      • 16:00 Coffee Break 30'
    • 16:30 - 18:30 Lab Session III 
      Participants are working on their own specific problems with the help of tutors
      • 16:30 Lab Session III 2h0'
  • Thursday, 1 April 2010
    • 08:00 - 09:00 Lab Session IV 
      Participants are supposed to complete their own work and prepare a short presentation for the final sessions
      • 08:00 Lab Session IV 1h0'
    • 09:00 - 10:00 Presentations by participants 
      Each participant (or group of participants) will present the activities they were able to perform during the training
      • 09:00 Presentations by participants 1h0'
    • 10:00 - 10:30 g3utils demo
      • 10:00 g3utils demo 30'
        Speaker: Sergio Maffioletti (UZH Zurich)
    • 10:30 - 11:00 Coffee Break
      • 10:30 Coffee Break 30'
    • 11:00 - 11:10 Wrap-UP session
      • 11:00 Wrap-UP session 10'
        Speaker: Stefano Cozzini
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