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

 
 
Go to day
  • Monday, 19 March 2018
    • 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
  • Tuesday, 20 March 2018
    • 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
  • Wednesday, 21 March 2018
    • 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
  • Thursday, 22 March 2018
    • 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.
  • Friday, 23 March 2018
    • 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'