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Category: List of Bases 2011 2011 ICTP Activities in Trieste ICTP Activities in Trieste
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lecture

Start Time:

17 January 2011 at 09:00

Ends On:

21 January 2011

Location:

Trieste - Italy

Venue:

AGH (Giambiagi Lecture Hall)

Organizer(s):

Directors: Shobhana Narasimhan, R. Gebauer Local Organiser: R. Gebauer

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.

Material:

Monday 17 January 2011

Room: Adriatico Guest House Giambiagi Lecture Hall

17 January 2011
09:00
09:20
Welcome and general comments about QE
20'
Stefano Baroni - SISSA, Trieste, Italy
09:20
10:30
Installation, parallelization, ground-state computations
01h10'
Paolo Giannozzi - Universita' di Udine, Udine, Italy and Shobhana Narasimhan - Jawaharlal Nehru Centre for Advanced Scientific Research, Banglalore, India
10:30
10:50
Break
20'
Room: Adriatico Guest House (Lower Level 1)
10:50
12:30
Installation, parallelization, ground-state computations
01h40'
Paolo Giannozzi - Universita' di Udine, Udine, Italy and Shobhana Narasimhan - Jawaharlal Nehru Centre for Advanced Scientific Research, Banglalore, India
12:30
14:00
Lunch Break
01h30'
Room: Adriatico Guest House Cafeteria
14:00
15:30
X-ray absorption
01h30'
Matteo Calandra - Universite' de Paris Pierre et Marie Curie, Paris, France
15:30
15:50
Coffee Break
20'
Room: Adriatico Guest House Cafeteria
15:50
17:30
X-ray absorption
01h40'
Matteo Calandra - Universite' de Paris Pierre et Marie Curie, Paris, France
Tuesday 18 January 2011

Room: Adriatico Guest House Informatics Lab.

18 January 2011
09:00
10:30
Phonons
01h30'
Stefano Baroni, SISSA, Trieste, Italy and Paolo Giannozzi, Universita' di Udine, Udine, Italy
10:30
10:50
Break
20'
Room: Adriatico Guest House (Lower Level 1)
10:50
12:30
Phonons
01h40'
Stefano Baroni, SISSA, Trieste, Italy and Paolo Giannozzi, Universita' di Udine, Udine, Italy
12:30
14:00
Lunch Break
01h30'
Room: Adriatico Guest House Cafeteria
14:00
15:30
Car-Parrinello MD
01h30'
Sandro Scandolo - ICTP
15:30
15:50
Coffee Break
20'
Room: Adriatico Guest House Cafeteria
15:50
17:30
Car-Parrinello MD
01h40'
Sandro Scandolo - ICTP
Wednesday 19 January 2011

Room: Adriatico Guest House Informatics Lab.

19 January 2011
09:00
10:30
NMR and EPR computations
01h30'
Stefano de Gironcoli and Emine Kuçukbenli - SISSA, Trieste, Italy
10:30
10:50
Break
20'
Room: Adriatico Guest House (Lower Level 1)
10:50
12:30
NMR and EPR computations
01h40'
Stefano de Gironcoli and Emine Kuçukbenli - SISSA, Trieste, Italy
12:30
14:00
Lunch Break
01h30'
Room: Adriatico Guest House Cafeteria
14:00
15:30
NMR and EPR computations
01h30'
Stefano de Gironcoli and Emine Kuçukbenli - SISSA, Trieste, Italy
15:30
15:50
Coffee Break
20'
Room: Adriatico Guest House Cafeteria
15:50
17:30
NMR and EPR computations
01h40'
Stefano de Gironcoli and Emine Kuçukbenli - SISSA, Trieste, Italy
Thursday 20 January 2011

Room: Adriatico Guest House Informatics Lab.

20 January 2011
09:00
10:30
Time-dependent DFT
01h30'
Ralph Gebauer - ICTP
10:30
10:50
Break
20'
Room: Adriatico Guest House (Lower Level 1)
10:50
12:30
Time-dependent DFT
01h40'
Ralph Gebauer - ICTP
12:30
14:00
Lunch Break
01h30'
Room: Adriatico Guest House Cafeteria
14:00
15:30
Transport with Wannier functions
01h30'
Nicola Marzari - Department of Materials, University of Oxford, Oxford, UK
15:30
15:50
Coffee Break
20'
Room: Adriatico Guest House Cafeteria
15:50
17:30
Transport with Wannier functions
01h40'
Nicola Marzari - Department of Materials, University of Oxford, Oxford, UK
Friday 21 January 2011

Room: Adriatico Guest House Informatics Lab.

21 January 2011
09:00
10:30
GW + BSE
01h30'
Layla Martin-Samos, SISSA, Trieste, Italy and Paolo Umari, CNR INFM Democritos, Trieste, Italy
10:30
10:50
Break
20'
Room: Adriatico Guest House (Lower Level 1)
10:50
12:30
GW + BSE
01h40'
Layla Martin-Samos, SISSA, Trieste, Italy and Paolo Umari, CNR INFM Democritos, Trieste, Italy
12:30
14:00
Lunch Break
01h30'
Room: Adriatico Guest House Cafeteria
14:00
15:30
GW + BSE
01h30'
Layla Martin-Samos, SISSA, Trieste, Italy and Paolo Umari, CNR INFM Democritos, Trieste, Italy
15:30
15:50
Coffee Break
20'
Room: Adriatico Guest House Cafeteria
15:50
16:30
GW + BSE
40'
Layla Martin-Samos, SISSA, Trieste, Italy and Paolo Umari, CNR INFM Democritos, Trieste, Italy
16:30
16:45
Closing Session
15'
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