| Description |
SCHOOL RELATED MATERIAL: - Video recording, slides of lectures, and hands-on material can be retrieved through the online programme; - Final list of participants (updated actual participation at the end of the School) and Book of Poster Abstracts are available through links at foot;
* * *
The School addresses senior PhD students and experienced researchers with prior working knowledge of DFT.
Theoretical and hands-on training will focus on ab-initio calculations of many properties relating to the electron-phonon interaction, for applications in condensed matter physics, materials physics, and nanoscience. Starting from an introduction to the background on electron-phonon physics and related materials properties from the point of view of ab-initio calculations, we will show the participants how to perform cutting- edge electron-phonon calculations using a suite of electronic structure codes, including EPW, Wannier90, Quantum ESPRESSO, and ABINIT.
Topics:
• Density functional perturbation theory • Electron-phonon coupling • Phonon-assisted optical absorption • Maximally-localized Wannier functions • Temperature dependence of the electronic bandstructure • Electronic transport using the Boltzmann transport equation • Phonon-driven superconductivity Lecturers: S. de Gironcoli, SISSA P. Giannozzi, University of Udine F. Giustino, University of Oxford X. Gonze, Univ. Catholique of Louvain E. Kioupakis, University of Michigan E. R. Margine, Binghamton University-SUNY G. Pizzi, EPFL S. Poncé, University of Oxford * * * ICTP Secretariat contact: smr3191@ictp.it |
Abstract of poster presentations
School on Electron-Phonon Physics from First Principles | (smr 3191)
Go to day
-
-
08:30 - 18:00
DAY 1
-
08:30
Introduction to the School, schedule
30' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Giustino, Feliciano (University of Oxford) -
09:00
Introduction to density functional theory (DFT)
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Giannozzi, Paolo (University of Udine) Material: 
Slides
Video
-
10:00
Density functional perturbation theory (DFPT)
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: de Gironcoli, Stefano (SISSA) Material:
Slides
Video
- 11:00 Administrative issues, and lunch break 3h0'
-
14:00
Introduction to Quantum-ESPRESSO (QE)
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Giannozzi, Paolo (University of Udine) Material:
Slides
Video
-
15:00
Calculating ground-state and band structures with QE
1h0' (
Adriatico Guest House - Informatics Lab (Lower Level 1)
)
Speakers: Giannozzi, Paolo (University of Udine), and Teaching assistants S. Poncé, R. Margine, F. Giustino, C. Verdi, S. de Gironcoli Material:
Hands-on
Slides
- 16:00 Coffee break 30' ( Adriatico Guest House - Cafeteria )
-
16:30
Calculating phonons with QE
1h30' (
Adriatico Guest House - Informatics Lab (Lower Level 1)
)
Speakers: de Gironcoli, Stefano (SISSA), and Teaching assistants S. Poncé, R. Margine, F. Giustino, C. Verdi, P. Giannozzi Material:
Hands-on
Slides
-
08:30
Introduction to the School, schedule
30' (
Adriatico Guest House - Kastler Lecture Hall
)
-
08:30 - 18:00
DAY 1
-
-
09:00 - 21:00
DAY 2
-
09:00
Introduction to electron-phonon interactions
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Giustino, Feliciano (University of Oxford) Material:
Slides
Video
-
10:00
Maximally-localised Wannier functions
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Pizzi, Giovanni (EPFL) Material:
Slides
Video
- 11:00 Coffee break 30' ( Adriatico Guest House - Cafeteria )
-
11:30
Introduction to Wannier90
1h15' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Pizzi, Giovanni (EPFL) Material:
Slides
Video
- 12:45 Lunch break 1h45' ( Adriatico Guest House - Cafeteria )
-
14:30
Wannier interpolation of electron bands
1h30' (
Adriatico Guest House - Informatics Lab (Lower Level 1)
)
Speakers: Pizzi, Giovanni (EPFL), and Teaching assistants V. Vitale, A. Marrazzo, S. Poncé, C. Verdi, F. Giustino, R. Margine Material:
Hands-on
- 16:00 Coffee break 30' ( Adriatico Guest House - Cafeteria )
-
16:30
Electron-phonon coupling in QE
1h30' (
Adriatico Guest House - Informatics Lab (Lower Level 1)
)
Speakers: Poncé, Samuel (University of Oxford), and Teaching assistants F. Giustino, R. Margine, C. Verdi Material:
Hands-on
-
19:00
POSTER SESSION
2h0' (
Adriatico Guest House - (Lower Level 1)
)
Poster presentations by participants -- drinks and finger buffet will accompany the poster session
-
09:00
Introduction to electron-phonon interactions
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
-
09:00 - 21:00
DAY 2
-
-
09:00 - 18:00
DAY 3
-
09:00
Many-body theory of electron-phonon interactions
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Giustino, Feliciano (University of Oxford) Material:
Slides
Video
-
10:00
Introduction to the Boltzmannt transport equation (BTE)
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Poncé, Samuel (University of Oxford) Material:
Slides
Video
- 11:00 Coffee break 30' ( Adriatico Guest House - Cafeteria )
-
11:30
Introduction to EPW
1h15' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Poncé, Samuel (University of Oxford) Material:
Slides
Video
- 12:45 Lunch break 1h45' ( Adriatico Guest House - Cafeteria )
-
14:30
Electron-phonon matrix elements with EPW, polar materials
1h30' (
Adriatico Guest House - Informatics Lab (Lower Level 1)
)
Speakers: Verdi, Carla (University of Oxford), and Teaching assistants S. Poncé, R. Margine, F. Giustino Material:
Hands-on
- 16:00 Coffee break 30' ( Adriatico Guest House - Cafeteria )
-
16:30
Conductivities and mobilities
1h30' (
Adriatico Guest House - Informatics Lab (Lower Level 1)
)
Speakers: Poncé, Samuel (University of Oxford), and Teaching assistants C. Verdi, R. Margine, F. Giustino Material:
Hands-on
-
09:00
Many-body theory of electron-phonon interactions
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
-
09:00 - 18:00
DAY 3
-
-
09:00 - 21:00
DAY 4
-
09:00
Electron-phonon interactions in ARPES and IXS
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Giustino, Feliciano (University of Oxford) Material:
Slides
Video
-
10:00
Temperature-dependent band structures
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Gonze, Xavier (Univ. Catholique of Louvain) Material:
Slides
Video
-
11:00
Coffee break
30'
(
Adriatico Guest House - Cafeteria
)
A group photograph will be taken during the coffee break
-
11:30
Introduction to ABINIT
1h15' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Gonze, Xavier (Univ. Catholique of Louvain) Material:
Video
- 12:45 Lunch break 1h45' ( Adriatico Guest House - Cafeteria )
-
14:30
Band structures and phonons in ABINIT
1h30' (
Adriatico Guest House - Informatics Lab (Lower Level 1)
)
Speakers: Giantomassi, Matteo (Univ. Catholique of Louvain), and Teaching assistants X. Gonze, S. Poncé - 16:00 Coffee break 30' ( Adriatico Guest House - Cafeteria )
-
16:30
Temperature-dependent bands and zero-point renormalization in ABINIT
1h30' (
Adriatico Guest House - Informatics Lab (Lower Level 1)
)
Speakers: Giantomassi, Matteo (Univ. Catholique of Louvain), and Teaching assistants X. Gonze, S. Poncé -
19:30
RECEPTION
1h30'
(
Adriatico Guest House - Cafeteria
)
All participants are most welcome to join an informal reception.
-
09:00
Electron-phonon interactions in ARPES and IXS
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
-
09:00 - 21:00
DAY 4
-
-
09:00 - 18:10
DAY 5
-
09:00
Phonon-assisted optical processes
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Kioupakis, Emmanuil (University of Michigan) Material:
Slides
Video
-
10:00
Migdal-Eliashberg theory of superconductivity
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Margine, Roxana (Binghamton University - SUNY) Material:
Slides
Video
- 11:00 Coffee break 30' ( Adriatico Guest House - Cafeteria )
-
11:30
Superconducting gap and critical temperature using EPW
1h15' (
Adriatico Guest House - Kastler Lecture Hall
)
Speaker: Margine, Roxana (Binghamton University - SUNY) Material:
Slides
Video
- 12:45 Lunch break 1h45' ( Adriatico Guest House - Cafeteria )
-
14:30
Eliashberg function and superconducting properties
1h30' (
Adriatico Guest House - Informatics Lab (Lower Level 1)
)
Speakers: Margine, Roxana (Binghamton University - SUNY), and Teaching assistants S. Poncé, F. Giustino, C. Verdi Material:
Hands-on
- 16:00 Coffee break 30' ( Adriatico Guest House - Cafeteria )
-
16:30
Optical absorption in indirect-gap semiconductors
1h30' (
Adriatico Guest House - Informatics Lab (Lower Level 1)
)
Speaker: Kioupakis, Emmanuil (University of Michigan) Material:
Hands-on
-
18:00
Closing remarks
10'
-
09:00
Phonon-assisted optical processes
1h0' (
Adriatico Guest House - Kastler Lecture Hall
)
-
09:00 - 18:10
DAY 5