Description |
An ICTP Hybrid Meeting
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
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. |
Wannier 2022 Summer School | (smr 3705)
Go to day
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08:30 - 12:30
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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.
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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.
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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'
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11:30
Wannier90
1h0' (
Leonardo Building - Budinich Lecture Hall
)
Remote
Speaker: Arash MOSTOFI (Imperial College London, UK), Jonathan YATES (Oxford University, UK) Material: Video
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08:30
Registration formalities (in person participants)
20' (
Leonardo Building - Lobby
)
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13:45 - 18:00
Hands-on tutorials are available at https://github.com/wannier-developers/wannier-tutorials/tree/master/2022_05_Trieste
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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'
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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)
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13:45
Wannier90 hands-on (Basics)
1h0' (
Adriatico Guest House - Informatics Lab
)
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08:30 - 12:30
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09:00 - 12:30
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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'
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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
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09:00
Orbital magnetization, topology, and hybrid Wannier functions
1h0' (
Leonardo Building - Budinich Lecture Hall
)
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13:25 - 13:35
- 13:30 Group photo (in presence - Adriatico GH Terrace)) 5'
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13:45 - 18:30
- 13:45 Group photo (online) 1'
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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'
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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.
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09:00 - 12:30
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09:00 - 12:30
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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'
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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
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09:00
Wannier-based ab initio methods for correlated materials
1h0' (
Leonardo Building - Budinich Lecture Hall
)
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13:45 - 18:00
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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'
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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
-
13:45
Automated Wannierisation & SCDM (Wannier90, with hands-on)
1h0' (
Adriatico Guest House - Informatics Lab
)
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09:00 - 12:30
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09:00 - 12:30
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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'
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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
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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
)
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13:45 - 18:00
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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'
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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
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13:45
ZPack tutorial: topological invariants through Wilson loops
1h0' (
Adriatico Guest House - Informatics Lab
)
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09:00 - 12:30
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09:00 - 12:30
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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'
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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
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09:00
Symmetry-adapted Wannier functions (hands-on Wannier90)
1h0' (
Leonardo Building - Budinich Lecture Hall or Adriatico Guest House - Eklund Informatics Lab
)
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13:45 - 17:30
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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'
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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
)
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13:45
Superconductivity and carrier transport modeling with EPW
1h0' (
Adriatico Guest House - Informatics Lab
)
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09:00 - 12:30