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

The Wannier 2022 Developers Meeting gathers the community that sustains various software packages built around the concept of maximally-localised Wannier functions (MLWF), strengthening interactions between the developers and promoting a synergetic research and software ecosystem.

Several independent packages exploiting MLWFs and the WANNIER90 code exist nowadays, targeting a number of methods and properties such as electron-phonon coupling (EPW), topological properties (Z2Pack, WannierTools), Berry-phase related properties (WannierBerri), tight-binding models (PythTB, TBModels), high-throughput calculations (AiiDA-Wannier90), strongly-correlated materials (TRIQS) and more.

The Wannier 2022 Developers Meeting is open to any developer working on software related to Wannier functions. The event will start with a round of invited technical talks to update all participants on current efforts in the Wannier ecosystem, while the second half of the meeting will be devoted to coding sessions and discussions between the participants. Code developers will have the opportunity to cooperate on integrating and interconnecting different packages into an organic ecosystem, share capabilities and exchange ideas, while contributing to drawing a roadmap for future developments of the software related to Wannier functions.

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 developers meeting is preceded the week before (16 - 20 May 2022) by the Wannier 2022 Summer School (smr 3705), that consists of lectures and hands-on sessions on a wide range of electronic-structure methods based on Wannier functions. The school targets graduate students, early-career scientists and experienced users.

Material

Wannier 2022 Developers Meeting | (smr 3757)
Go to day
  • Monday, 23 May 2022
    • 09:00 - 12:00
      • 09:00 Registration formalities (in person participants) 20' 
        REGISTRATION: Upon arrival, Visitors not staying in the ICTP Guest Houses, are kindly requested to complete registration formalities at the Adriatico Guesthouse as follows: 
Registration Desk (Lower level) from 9.00 till 9.20.
      • 09:20 Opening remarks 10' 
        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.
      • 09:30 Koopmans functionals and Wannier functions 40'
        Speaker: Nicola COLONNA (Paul Scherrer Institute, Switzerland)
        Material: Video
      • 10:10 Symmetrisation of berry curvature and magnetization 20'
        Speaker: Xiaoxiong LIU (University of Zurich, Switzerland)
        Material: Video
      • 10:30 Coffee break 30'
      • 11:00 Accurate calculation of Wannier centers and position matrix elements I: Translationally-invariant formula 20'
        Speaker: Jaemo LIM (Seoul National University, Republic of Korea)
        Material: Video
      • 11:20 Accurate calculation of Wannier centers and position matrix elements II: Higher-order finite difference 20'
        Speaker: Minsu KIM (Seoul National University, Republic of Korea)
        Material: Video
    • 14:00 - 18:00
      Location: Adriatico Guest House - Giambiagi Lecture Hall
      • 14:00 Flash talks (3+1 min each) 1h0'
      • 15:00 Wannier90 library developments 40'
        Speaker: Jerome JACKSON (STFC Daresbury Laboratory, UK)
        Material: Video
      • 15:40 Coffee break 30'
      • 16:10 GROUP DISCUSSIONS / CODING 1h50'
    • 19:00 - 22:00
      • 19:00 SOCIAL DINNER 3h0' 
        All participants are cordially invited to the Social Dinner.
  • Tuesday, 24 May 2022
    • 09:40 - 12:30
      Location: Adriatico Guest House - Giambiagi Lecture Hall
      • 09:40 Flash talks (3+1 min each) 30'
      • 10:10 Wannier90 I/O with Python 20'
        Speaker: Jamal MUSTAFA
        Material: Video
      • 10:30 Coffee break 30'
      • 11:00 GROUP DISCUSSIONS / CODING 1h30'
    • 14:00 - 18:00
      Location: Adriatico Guest House - Giambiagi Lecture Hall
      • 14:00 Flash talks (3+1 min each) 30'
      • 14:30 EPIq : a new open-source software for the calculation of electron-phonon interaction related properties 20'
        Speaker: Guglielmo MARCHESE (Universita' Sapienza, Italy), Giovanni MARINI (Italian Institute of Technology, Italy)
        Material: Video
      • 14:50 Phoebe: a collection of Phonon and Electron Boltzmann Equation solvers 20'
        Speaker: Andrea CEPELLOTTI (Harvard University, USA), Jennifer COULTER (Harvard University, USA)
        Material: Video
      • 15:10 GROUP PHOTO (online and in presence) 5'
      • 15:15 GROUP DISCUSSIONS / CODING 25'
      • 15:40 Coffee break 30'
      • 16:10 GROUP DISCUSSIONS / CODING 1h50'
  • Wednesday, 25 May 2022
    • 09:00 - 12:00
      Location: Adriatico Guest House - Giambiagi Lecture Hall
      • 09:00 Tetrahedron method for non-dissipative parts of spectral functions and Wannier function perturbation theory 40'
        Speaker: Cheol-Hwan PARK (Seoul National University, Republic of Korea)
        Material: Video
      • 09:40 Flash talks (3+1 min each) 30'
      • 10:10 GROUP DISCUSSIONS / CODING 20'
      • 10:30 Coffee break 30'
      • 11:00 GROUP DISCUSSIONS / CODING 1h0'
    • 14:00 - 18:00
      Location: Adriatico Guest House - Giambiagi Lecture Hall
      • 14:00 Flash talks (3+1 min each) 30'
      • 14:30 Construction of MLWF using crystal symmetry 20' ( Remote )
        Speaker: Takashi KORETSUNE (Tohoku University, Japan)
        Material: Video
      • 14:50 GROUP DISCUSSIONS / CODING 50'
      • 15:40 Coffee break 30'
      • 16:10 GROUP DISCUSSIONS / CODING 1h50'
  • Thursday, 26 May 2022
    • 09:00 - 12:30
      Location: Adriatico Guest House - Giambiagi Lecture Hall
      • 09:00 Quantum computing and its applications in natural sciences 40'
        Speaker: Ivano TAVERNELLI (IBM Quantum IBM Research - Zurich, Switzerland)
        Material: Video
      • 09:40 Tailoring high-harmonic generation in atomically-thin materials 20'
        Speaker: Line JELVER (University of Southern Denmark Mads Clausen Institute, Denmark)
        Material: Video
      • 10:00 GROUP DISCUSSIONS / CODING 40'
      • 10:40 Coffee break 20'
      • 11:00 GROUP DISCUSSIONS / CODING 1h30'
    • 14:00 - 18:00
      Location: Adriatico Guest House - Giambiagi Lecture Hall
      • 14:00 Flash talks (3+1 min each) 30'
      • 14:30 Using TD-MLWFs to increase the efficiency of hybrid functionals in TD-DFT 20' ( Remote )
        Speaker: Christopher SHEPARD (University of North Carolina at Chapel Hill, USA)
        Material: Video
      • 14:50 GROUP DISCUSSIONS / CODING 50'
      • 15:40 Coffee break 20'
      • 16:00 Round-table discussion 1h0' ( Adriatico Guest House - Informatics Laboratory )
        Material: Video
  • Friday, 27 May 2022
    • 09:00 - 12:30
      Location: Adriatico Guest House - Giambiagi Lecture Hall
      • 09:00 Flash talks (3+1 min each): conclusions 1h10'
      • 10:10 Wannierisation of Charge and Current vertices in the GW/BSE method applied to quasi-2D crystals 20'
        Speaker: Neven GOLENIC (SISSA, Italy)
        Material: Video
      • 10:30 Coffee break 30'
      • 11:00 Magnetic exchange and exchange striction from W90 and EPW 20' ( Remote )
        Speaker: Sergey ARTYUKHIN (Italian Institute of Technology, Italy)
        Material: Video
      • 11:20 GROUP DISCUSSIONS / CODING 40'
      • 12:00 Closing remarks 30'
    • 14:00 - 17:00
      Location: Adriatico Guest House - Giambiagi Lecture Hall
      • 14:00 GROUP DISCUSSIONS / CODING 1h50'
      • 15:50 Coffee break 30'
      • 16:20 GROUP DISCUSSIONS / CODING 40'
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