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Category: List of Bases 2012 2012 ICTP Activities in Trieste ICTP Activities in Trieste
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lecture

Cosponsor(s):

South Africa's National Institute for Theoretical Physics (NITheP)

Start Time:

26 November 2012 at 08:30

Ends On:

30 November 2012

Location:

Trieste - Italy

Venue:

AGH (Giambiagi Lecture Hall)

Organizer(s):

Organisers: F. De Angelis, S. Fabris, R. Gebauer and N. Seriani

Description:

DEADLINE:
26 August 2012 if requesting funds and/or visa - Otherwise 30 September 2012

Material:

no notes available

Monday, 26 November 2012

Room: Adriatico Guest House Giambiagi Lecture Hall

08:00
10:00
Registration, administrative formalities and official welcome
02h00'
Room: Adriatico Guest House - Giambiagi Lecture Hall Area (Lower Level 1)
10:00
12:00
Hands-on: Introduction to QE
02h00'
N.Seriani, R. Gebauer
12:00
14:00
Lunch break
02h00'
14:00
15:00
Applications of synchrotron radiation to energy applications
01h00'
A. Goldoni
15:00
15:30
Coffee break
30'
15:30
18:30
Hands-on: Introduction to model potential molecular dynamics (MPMD)
03h00'
A. Mattoni, C. Caddeo
Tuesday, 27 November 2012

Room: Adriatico Guest House Giambiagi Lecture Hall

08:30
09:30
Modeling electrochemistry I
01h00'
S. Piccinin
09:30
10:00
Coffee break
30'
10:00
12:00
Hands-on: Car-Parrinello MD
02h00'
F. De Angelis, E. Mosconi, S. Scandolo
12:00
14:00
Lunch break
02h00'
14:00
15:30
Hands on: MPMD simulations of nanostructured materials for photovoltaics
01h30'
A. Mattoni, M. I. Saba
15:30
16:00
Coffee break
30'
16:00
18:00
Hands on: MPMD simulations of nanostructured materials for photovoltaics
02h00'
A. Mattoni, M. I. Saba
19:30
22:30
Reception
03h00'
Room: Adriatico Guest House Cafeteria
Wednesday, 28 November 2012

Room: Adriatico Guest House Giambiagi Lecture Hall

09:00
10:00
Simulating dye sensitized solar cells
01h00'
F. De Angelis
10:00
10:30
Coffee break
30'
10:30
11:30
Simulation of Li-Air batteries
01h00'
N. Seriani
11:30
12:30
Introduction to the computation of X-ray absorption spectra
01h00'
M. Calandra, O. Bunau
12:30
14:00
Lunch break
01h30'
14:00
15:30
Hands-on: Computing X-ray absorption with XSPECTRA
01h30'
M. Calandra, O. Bunau
15:30
16:00
Coffee break
30'
16:00
18:00
Hands-on: Computing X-ray absorption with XSPECTRA
02h00'
M. Calandra, O. Bunau
Thursday, 29 November 2012

Room: Adriatico Guest House Giambiagi Lecture Hall

08:30
10:00
Introduction to TDDFT
01h30'
R. Gebauer
10:00
10:30
Coffee break
30'
10:30
12:00
Introduction to GW
01h30'
P. Umari
12:00
14:00
Lunch break
02h00'
14:00
15:45
Hands-on: TDDFT
01h45'
R. Gebauer
15:45
16:15
Coffee break
30'
16:15
18:00
Hands-on: GW
01h45'
P. Umari
Friday, 30 November 2012

Room: Adriatico Guest House Giambiagi Lecture Hall

09:00
10:00
Microscopic insight on chemical state and morphology of key components in operating proton exchange membrane fuel cells (PEPFCs) and solid oxide fuel cells (SOFCs) using synchrotron based imaging and microspectroscopy
01h00'
M. Kiskinova
10:00
10:30
Coffee break
30'
10:30
11:30
Computational catalysis
01h00'
S. Fabris
11:30
12:30
Modeling electrochemistry II
01h00'
S. Piccinin
12:30
14:00
Lunch break
01h30'
14:00
15:30
Metadynamics/PLUMED
01h30'
S. Fabris, Changru Ma
15:30
16:00
Coffee break
30'
16:00
17:30
Metadynamics/PLUMED
01h30'
S. Fabris, Changru Ma
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