Scientific Calendar Event



Description An ICTP Hybrid Meeting. You can submit your application for participation in presence or online.

This 5-day school consists of lectures and hands-on sessions on a wide range of electronic-structure methods based on Wannier functions. The event targets graduate students, early-career scientists and experienced users.

Wannier functions (WFs) are used to understand the nature of chemical bonding, calculate topological and geometrical quantities, efficiently interpolate band-structure properties and more. This event includes highlight talks that provide a historical and broad perspective on WFs in electronic structure, dedicated lectures to the theory and methods of WFs, as well as hands-on tutorials at the basic and advanced level. The school is designed to allow participants to join both in-person and online, and covers a wide range of complex materials properties using the software packages listed below.

Topics
  • Maximally-localized Wannier functions (Wannier90)
  • Advanced Wannier functions methods: symmetry-adapted, SCDM, transport (Wannier90)
  • Partly occupied Wannier functions (ASE)
  • Tight-binding models (PythTB)
  • Topological properties (Z2pack & WannierTools)
  • Berry-phase properties (WannierBerri)
  • Automated wannierisation (AiiDA)
  • Electron-phonon coupling (EPW)
  • Dynamical mean-field theory (TRIQS)

Speakers
R. ARITA, Tokyo University and RIKEN, Japan
S. BECK, Flatiron Institute, USA
F. GIUSTINO, UT Austin, USA
L. LIN, UC Berkeley, USA
N. MARZARI, EPFL, Switzerland
A. MOSTOFI, Imperial College London, UK
Y. NOMURA, Keio University, Japan
S. PONCÉ, EPL, Belgium
J. QIAO, EPFL, Switzerland
R. RESTA, CNR-IOM, Italy
I. SOUZA, CFM and UPV, Spain
K. THYGESEN, DTU, Denmark
D. VANDERBILT, Rutgers University, USA
M. VERGNIORY, DIPC, Spain
V. VITALE, Imperial College London, UK
Q. WU, IOPCAS, China
J. YATES, Oxford University, UK


Grants: A limited number of grants are available to support the attendance of selected participants, with priority given to participants from developing countries. There is no registration fee.

The School will be followed the week after (23 - 27 May 2022) by the Wannier 2022 Developers Meeting (smr 3757), devoted to foster integration between several packages composing the Wannier software ecosystem.

 
Go to day
  • Monday, 16 May 2022
    • 08:30 - 12:30
      • 08:30 Registration formalities (in person participants) 20' ( Leonardo Building - Lobby )
        REGISTRATION: Upon arrival, Visitors not staying in the ICTP Guest Houses, are kindly requested to complete registration formalities in the Leonardo Building Lobby from 8.30 till 8.50.
      • 08:50 Opening remarks 10' ( Leonardo Building - Budinich Lecture Hall )
        Time zone: You can choose your time zone (in place of Europe/Rome) on the top right of the page and the programme time will be modified accordingly.
      • 09:00 Maximally localized Wannier functions: overview, and application to the electronic-structure problem 1h0' ( Leonardo Building - Budinich Lecture Hall )
        Speaker: Nicola MARZARI (EPFL, Switzerland)
        Material: Video
      • 10:00 Electric polarization and the quantum geometry of the insulating ground state 1h0' ( Leonardo Building - Budinich Lecture Hall )
        Speaker: Raffaele RESTA (CNR-IOM, Italy)
        Material: Video
      • 11:00 Coffee break 30'
      • 11:30 Wannier90 1h0' ( Leonardo Building - Budinich Lecture Hall )
        Remote
        Speaker: Arash MOSTOFI (Imperial College London, UK), Jonathan YATES (Oxford University, UK)
        Material: Video
    • 13:45 - 18:00
      Hands-on tutorials are available at  
       https://github.com/wannier-developers/wannier-tutorials/tree/master/2022_05_Trieste
      • 13:45 Wannier90 hands-on (Basics) 1h0' ( Adriatico Guest House - Informatics Lab )
        Remote
        Speaker: Arash MOSTOFI (Imperial College London, UK), Jonathan YATES (Oxford University, UK)
      • 14:45 Wannier90 hands-on (Basics) 1h0' ( Adriatico Guest House - Informatics Lab )
        Remote
        Speaker: Arash MOSTOFI (Imperial College London, UK), Jonathan YATES (Oxford University, UK)
      • 15:45 Coffee break 15'
      • 16:00 Wannier90 hands-on (Advanced) 1h0' ( Adriatico Guest House - Informatics Lab )
        Remote
        Speaker: Arash MOSTOFI (Imperial College London, UK), Jonathan YATES (Oxford University, UK)
      • 17:00 Wannier90 hands-on (Advanced) 1h0' ( Adriatico Guest House - Informatics Lab )
        Remote
        Speaker: Arash MOSTOFI (Imperial College London, UK), Jonathan YATES (Oxford University, UK)
  • Tuesday, 17 May 2022
    • 09:00 - 12:30
      • 09:00 Orbital magnetization, topology, and hybrid Wannier functions 1h0' ( Leonardo Building - Budinich Lecture Hall )
        Speaker: David VANDERBILT (Rutgers University, USA)
        Material: Video
      • 10:00 Berryology using Wannier interpolation 1h0' ( Leonardo Building - Budinich Lecture Hall )
        Speaker: Ivo SOUZA (CFM and UPV, Spain)
        Material: Slides Video
      • 11:00 Coffee break and shuttle 30'
      • 11:30 Berryology (hands-on Wannier Berri) 1h0' ( Leonardo Building - Budinich Lecture Hall or Adriatico Guest House - Eklund Informatics Lab )
        Speaker: Stepan TSIRKIN (University of Zurich, Switzerland)
        Material: Video
    • 13:25 - 13:35
      • 13:30 Group photo (in presence - Adriatico GH Terrace)) 5'
    • 13:45 - 18:30
      • 13:45 Group photo (online) 1'
      • 13:45 Berryology (hands-on Wannier Berri) 1h0' ( Adriatico Guest House - Informatics Lab )
        Speaker: Stepan TSIRKIN (University of Zurich, Switzerland)
      • 14:45 Electron-phonon interaction by Wannier interpolation 1h0' ( Adriatico Guest House - Informatics Lab )
        Remote
        Speaker: Feliciano GIUSTINO (UT Austin, USA)
        Material: Video
      • 15:45 Coffee break 15'
      • 16:00 Selected columns of density matrix for Wannier functions with entangled energy bands 1h0' ( Adriatico Guest House - Informatics Lab )
        Remote
        Speaker: Lin LIN (UC Berkeley, USA)
        Material: Video
      • 17:00 Posters session (in presence) and Welcome reception 1h30'
        All participants are cordially invited to the Welcome Reception.
  • Wednesday, 18 May 2022
    • 09:00 - 12:30
      • 09:00 Wannier-based ab initio methods for correlated materials 1h0' ( Leonardo Building - Budinich Lecture Hall )
        Remote
        Speaker: Ryotaro ARITA (Tokyo University and RIKEN, Japan)
        Material: Video
      • 10:00 Correlation effects and realistic materials modeling with DFT+DMFT 1h0' ( Leonardo Building - Budinich Lecture Hall )
        Speaker: Sophie BECK (Flatiron Institute, USA)
        Material: Video
      • 11:00 Coffee break and shuttle 30'
      • 11:30 Correlation effects and realistic materials modeling with DFT+DMFT (hands-on TRIQS) 1h0' ( Leonardo Building - Budinich Lecture Hall or Adriatico Guest House - Eklund Informatics Lab )
        Speaker: Sophie BECK (Flatiron Institute, USA)
        Material: Video
    • 13:45 - 18:00
      • 13:45 Automated Wannierisation & SCDM (Wannier90, with hands-on) 1h0' ( Adriatico Guest House - Informatics Lab )
        Speaker: Valerio VITALE (Imperial College London, UK)
        Material: Video
      • 14:45 Automated Wannierisation & AiiDA-Wannier90 1h0' ( Adriatico Guest House - Informatics Lab )
        Speaker: Valerio VITALE (Imperial College London, UK), Junfeng QIAO (EPFL, Switzerland)
        Material: Video
      • 15:45 Coffee break 15'
      • 16:00 Automated high-throughput Wannierisation with AiiDA and Wannier90 (hands-on) 1h0' ( Adriatico Guest House - Informatics Lab )
        Speaker: Junfeng QIAO (EPFL, Switzerland)
        Material: Video
      • 17:00 Automated high-throughput Wannierisation with AiiDA and Wannier90 (hands-on) 1h0' ( Adriatico Guest House - Informatics Lab )
        Speaker: Junfeng QIAO (EPFL, Switzerland)
        Material: Video
  • Thursday, 19 May 2022
    • 09:00 - 12:30
      • 09:00 Topological properties: WCC, surface states, band crossings et al. (hands-on WannierTools) 1h0' ( Leonardo Building - Budinich Lecture Hall or Adriatico Guest House - Eklund Informatics Lab )
        Remote talk
        Speaker: Quansheng WU (IOPCAS, China)
        Material: Video
      • 10:00 Twisted bilayer graphene, including WCC, Landau levels, and band unfolding et al. (hands-on WannierTools) 1h0' ( Leonardo Building - Budinich Lecture Hall or Adriatico Guest House - Eklund Informatics Lab )
        Remote talk
        Speaker: Quansheng WU (IOPCAS, China)
      • 11:00 Coffee break and shuttle 30'
      • 11:30 The role of crystalline symmetries in band theory: IrRep hands-on 1h0' ( Leonardo Building - Budinich Lecture Hall or Adriatico Guest House - Eklund Informatics Lab )
        Speaker: Maia VERGNIORY (DIPC, Spain), IRAOLA Mikel (University of the Basque Country, Spain), ROBREDO Iñigo (Max Planck Institute, Germany)
        Material: Video
    • 13:45 - 18:00
      • 13:45 ZPack tutorial: topological invariants through Wilson loops 1h0' ( Adriatico Guest House - Informatics Lab )
        Speaker: Maia VERGNIORY (DIPC, Spain), IRAOLA Mikel (University of the Basque Country, Spain), ROBREDO Iñigo (Max Planck Institute, Germany)
        Material: Video
      • 14:45 Spread-balanced Wannier functions and automated Wannierization with the ASE 1h0' ( Adriatico Guest House - Informatics Lab )
        Remote
        Speaker: Kristian THYGESEN (DTU, Denmark)
        Material: Video
      • 15:45 Coffee break 15'
      • 16:00 Tight-binding models (hands-on PythTB) 1h0' ( Adriatico Guest House - Informatics Lab )
        Speaker: Sinisa COH (University of California, USA)
        Material: Video
      • 17:00 Poster session (online) 1h0'
        Remote
  • Friday, 20 May 2022
    • 09:00 - 12:30
      • 09:00 Symmetry-adapted Wannier functions (hands-on Wannier90) 1h0' ( Leonardo Building - Budinich Lecture Hall or Adriatico Guest House - Eklund Informatics Lab )
        Remote
        Speaker: Yusuke NOMURA (Keio University, Japan)
        Material: Video
      • 10:00 Symmetry-adapted Wannier functions (hands-on Wannier90) 1h0' ( Leonardo Building - Budinich Lecture Hall or Adriatico Guest House - Eklund Informatics Lab )
        Remote
        Speaker: Yusuke NOMURA (Keio University, Japan)
        Material: Video
      • 11:00 Coffee break and shuttle 30'
      • 11:30 Thermoelectric and electronic transport properties with Wannier90+BoltzWann (hands-on) 1h0' ( Leonardo Building - Budinich Lecture Hall or Adriatico Guest House - Eklund Informatics Lab )
        Remote
        Speaker: Giovanni PIZZI (EPFL, Switzerland)
        Material: Video
    • 13:45 - 17:30
      • 13:45 Superconductivity and carrier transport modeling with EPW 1h0' ( Adriatico Guest House - Informatics Lab )
        Speaker: Roxana MARGINE (Binghamton University - State University of New York, USA), Samuel PONCE (EPL, Belgium)
        Material: Slides Video
      • 14:45 Superconductivity (hands-on EPW) 1h0' ( Adriatico Guest House - Informatics Lab )
        Speaker: Roxana MARGINE (Binghamton University - State University of New York, USA)
        Material: Video
      • 15:45 Coffee break 15'
      • 16:00 Carrier transport (hands-on EPW) 1h0' ( Adriatico Guest House - Informatics Lab )
        Speaker: Samuel PONCE (EPL, Belgium)
        Material: Video
      • 17:00 Poster awards and closing remarks 30' ( Adriatico Guest House - Informatics Lab )