[QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response

Nicola Marzari nicola.marzari at epfl.ch
Fri Jul 29 11:06:13 CEST 2022



Very nice! If you haven't already posted to Psi-k, highligt keynote 
speakers early on


On 29/07/2022 11:02, Iurii TIMROV via users wrote:
> Dear Quantum ESPRESSO community,
> 
> 
> We are pleased to announce the "Advanced Quantum ESPRESSO tutorial: 
> Hubbard and Koopmans functionals from linear response".
> 
> 
> **
> 
> *
> 
> Dates:9-11 November 2022
> 
> Format:Online
> 
> Registration fee: 0 (free of charge)
> 
> Deadline for applications:1 October 2022
> 
> Website of the event:https://sites.google.com/view/hubbard-koopmans 
> <https://sites.google.com/view/hubbard-koopmans>
> *
> 
> 
> **
> 
> *
> 
> The goal of this tutorial is to introduce PhD students, postdocs, and 
> junior scientists to the use of advanced functionals aimed at modeling 
> complex materials, such as the extended Hubbard and Koopmans 
> functionals. By eliminating self-interaction errors and restoring total 
> energy piecewise linearity, these advances broaden the scope of DFT by 
> either improving the ground-state description of transition-metal and 
> rare-earth compounds or by giving access to accurate spectral properties 
> (like fundamental band gaps and band structures). Their actual 
> implementation also takes advantage of linear-response theory through 
> the self-consistent incarnation contained in density-functional 
> perturbation theory. The first day of the tutorial will be devoted to an 
> introduction to fundamental aspects of DFT using local and semi-local 
> functionals, its application to materials science and physics, and its 
> limitations. In the next 2 days, the tutorial will cover the theoretical 
> framework of Hubbard and Koopmans functionals (the main topic of this 
> event) and their applications to representative case studies. The 
> reference computational platform of the tutorial will be Quantum 
> ESPRESSO, a widely used open-source electronic-structure software, which 
> implements both extended Hubbard and Koopmans functionals.
> 
> 
> If attending the Psi-k conference in Lausanne, feel free to come and see 
> us at the MARVEL and MaX booths to learn more about the virtual tutorial 
> and the codes involved.
> 
> *
> *
> 
> Keynote speakers:
> 
> Leoor Kronik <https://fhrc.huji.ac.il/people/leeor-kronik>(Weizmann 
> Institute of Science, Israel)
> 
> Renata Wentzcovitch 
> <https://www.apam.columbia.edu/faculty/renata-wentzcovitch>(Columbia 
> University, USA)
> 
> Matteo Gatti <https://etsf.polytechnique.fr/People/Matteo>(École 
> Polytechnique, France)
> 
> *
> *
> 
> Lecturers:
> 
> *
> 
> **
> 
> *
> 
> Nicola Marzari <https://people.epfl.ch/nicola.marzari>(EPFL and PSI, 
> Switzerland)
> 
> Giovanni Pizzi <https://people.epfl.ch/giovanni.pizzi>(EPFL and PSI, 
> Switzerland)
> 
> Edward Linscott <https://people.epfl.ch/edward.linscott>(EPFL, Switzerland)
> 
> Iurii Timrov <https://people.epfl.ch/iurii.timrov>(EPFL, Switzerland)
> 
> Nicola Colonna <https://www.psi.ch/en/lns/people/nicola-colonna>(PSI, 
> Switzerland)
> 
> Andrea Floris <https://staff.lincoln.ac.uk/afloris>(Lincoln University, UK)
> 
> Andrea Ferretti <http://max-centre.eu/andrea-ferretti-0>(CNR Modena, Italy)
> 
> ***
> **
> 
> **Matteo Cococcioni 
> <https://fisica.unipv.it/personale/Persona.php?ID=505>(University of 
> Pavia, Italy)**
> 
> 
> 
> **
> 
> *
> 
> Yours sincerely,
> 
> Iurii Timrov, Nicola Colonna, Matteo Cococcioni, and Andrea Ferretti
> 
> *
> 
> 
> _______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users


-- 
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, SNSF
Head, Laboratory for Materials Simulations, Paul Scherrer Institut
Contact info and websites at http://theossrv1.epfl.ch/Main/Contact


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