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QE tutorial 2022 - Koopmans: Connection with the spectral potential - Andrea Ferretti
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Advanced Quantum ESPRESSO Tutorial - Hubbard and Koopmans Functionals from Linear Response
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- 1 QE tutorial 2022 - Welcome
- 2 QE tutorial 2022 - Electronic-structure methods for materials science - Nicola Marzari
- 3 QE tutorial 2022 - Electronic and optical spectra from optimally-tuned functionals - Leeor Kronik
- 4 QE tutorial 2022 - Managing high-throughput workflows with AiiDA - Marnik Bercx
- 5 QE tutorial 2022 - Materials Cloud and AiiDAlab - Kristjan Eimre
- 6 QE tutorial 2022 - Quantum ESPRESSO and MaX: Materials Design towards the Exascale - Andrea Ferretti
- 7 QE tutorial 2022 - Hands-on: DFT in practice - Nicola Colonna & Iurii Timrov
- 8 QE tutorial 2022 - Maximally localized Wannier functions - Giovanni Pizzi
- 9 QE tutorial 2022 - Hands-on: Maximally localized Wannier functions using Wannier90 - Marrazzo & Qiao
- 10 QE tutorial 2022 - DFT+U and DFT+U+V: Basic concepts and applications - Matteo Cococcioni
- 11 QE tutorial 2022 - First-principles calculation of Hubbard parameters - Iurii Timrov
- 12 QE tutorial 2022 - Accelerating the calculation of Hubbard parameters using ML - Martin Uhrin
- 13 QE tutorial 2022 - Hands-on: DFT+U and DFT+U+V: How does it work? - Iurii Timrov & Matteo Cococcioni
- 14 QE tutorial 2022 - Hands-on: First-principles calculation of Hubbard parameters
- 15 QE tutorial 2022 - Phonons and electron-phonon coupling using DFPT+U - Andrea Floris
- 16 QE tutorial 2022 - Day 2 discussion
- 17 QE tutorial 2022 - Koopmans: Connection with the spectral potential - Andrea Ferretti
- 18 QE tutorial 2022 - Koopmans functionals in practice - Edward Linscott
- 19 QE tutorial 2022 - Accelerating the calculation of Koopmans screening parameters using ML - Schubert
- 20 QE tutorial 2022 - Hands-on: Spectral properties of finite and extended systems
- 21 QE tutorial 2022 - KCW: an implementation of Koopmans functionals based on DFPT - Nicola Colonna
- 22 QE tutorial 2022 - Hands-on: Spectral properties of finite and extended systems using the KCW code
- 23 QE tutorial 2022 - Iron oxides and silicates at extreme conditions - Renata Wentzcovitch
- 24 QE tutorial 2022 - Design of auxiliary systems and connectors for spectroscopy - Matteo Gatti
- 25 QE tutorial 2022 - Concluding remarks
