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

Wed Sep 21 10:06:24 CEST 2022

Hi, Iurii,
Good day.
On the announcement for this tutorial, I couldn't find a link for
registration.
How can one register for the tutorial?
Thank you.

Tersoo Atsue.
Department of Physics,
Federal University Dutsin-ma.

On Wed, Sep 21, 2022, 8:56 AM Iurii TIMROV via users <
users at lists.quantum-espresso.org> wrote:

> Hi Stephen,
>
>
> > Will the tutorial sessions also be recorded and published online?
>
>
> Yes! All info about the recorded lectures and hands-on will be available
> on the website of the event:
> https://sites.google.com/view/hubbard-koopmans
> <https://urldefense.us/v3/__https:/sites.google.com/view/hubbard-koopmans__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAEyCQ_Y$>
>
>
> Greetings,
>
> Iurii
>
>
> P.S.: In the announcement there was a typo, the correct phrase is "*Registration
> is free of charge*".
>
>
> --
> Dr. Iurii TIMROV
> Senior Research Scientist
> Theory and Simulation of Materials (THEOS)
> Swiss Federal Institute of Technology Lausanne (EPFL)
> CH-1015 Lausanne, Switzerland
> +41 21 69 34 881
> http://people.epfl.ch/265334
> ------------------------------
> *From:* Weitzner, Stephen Eric <weitzner1 at llnl.gov>
> *Sent:* Tuesday, September 20, 2022 8:52:40 PM
> *To:* Iurii TIMROV; Quantum ESPRESSO users Forum
> *Subject:* Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and
> Koopmans functionals from linear response
>
>
> Hi Iurii,
>
>
>
> Will the tutorial sessions also be recorded and published online?
>
>
>
> Cheers,
>
> Stephen
>
>
>
> ——
>
> Stephen Weitzner, PhD
>
> *Staff Scientist*
>
> Quantum Simulations Group
>
> Materials Science Division
>
> Lawrence Livermore National Laboratory
>
>
>
>
>
>
>
> *From: *users <users-bounces at lists.quantum-espresso.org> on behalf of
> Iurii TIMROV via users <users at lists.quantum-espresso.org>
> *Reply-To: *Iurii TIMROV <iurii.timrov at epfl.ch>, Quantum ESPRESSO users
> Forum <users at lists.quantum-espresso.org>
> *Date: *Tuesday, September 20, 2022 at 6:23 AM
> *To: *"users at lists.quantum-espresso.org" <users at lists.quantum-espresso.org
> >
> *Subject: *Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and
> Koopmans functionals from linear response
>
>
>
> Dear Quantum ESPRESSO community,
>
>
>
> This is a reminder about the "Advanced Quantum ESPRESSO tutorial: Hubbard
> and Koopmans functionals from linear response":
> https://sites.google.com/view/hubbard-koopmans
> <https://urldefense.us/v3/__https:/sites.google.com/view/hubbard-koopmans__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAEyCQ_Y$>
>
>
>
> *Dates:* 9-11 November 2022
>
> *Format:* Online
>
> *Registration is fee of charge*
>
> *Deadline for applications:* 1 October 2022
>
> *Goal:* 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.
>
> *Program:* 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.
>
> *Hands-on:* We will use the Quantum Mobile. All participants need to
> install the Quantum Mobile prior to the tutorial in order to be admitted to
> the hands-on part. Moreover, the participants must be familiar with the
> Unix commands in order to be able to attend the hands-on. More information
> will follow when confirming your participation by email after October, 1st.
>
> *Keynote speakers:*
>
> *Leoor Kronik*
> <https://urldefense.us/v3/__https:/fhrc.huji.ac.il/people/leeor-kronik__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScop3gChB0c$> (Weizmann
> Institute of Science, Israel)
>
> *Renata Wentzcovitch*
> <https://urldefense.us/v3/__https:/www.apam.columbia.edu/faculty/renata-wentzcovitch__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAo4VrBs$> (Columbia
> University, USA)
>
> *Matteo Gatti*
> <https://urldefense.us/v3/__https:/etsf.polytechnique.fr/People/Matteo__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopyvH3eRc$> (École
> Polytechnique, France)
>
> *Lecturers:*
>
> *Nicola Marzari*
> <https://urldefense.us/v3/__https:/people.epfl.ch/nicola.marzari__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScoptl25ykI$> (EPFL
> and PSI, Switzerland)
>
> *Giovanni Pizzi*
> <https://urldefense.us/v3/__https:/people.epfl.ch/giovanni.pizzi__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopv81iNZY$> (EPFL
> and PSI, Switzerland)
>
> *Edward Linscott*
> <https://urldefense.us/v3/__https:/people.epfl.ch/edward.linscott__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScop4O46E0c$> (EPFL,
> Switzerland)
>
> *Iurii Timrov*
> <https://urldefense.us/v3/__https:/people.epfl.ch/iurii.timrov__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopObDp1FI$> (EPFL,
> Switzerland)
>
> *Nicola Colonna*
> <https://urldefense.us/v3/__https:/www.psi.ch/en/lns/people/nicola-colonna__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScoppFa5tDw$> (PSI,
> Switzerland)
>
> *Andrea Floris*
> <https://urldefense.us/v3/__https:/staff.lincoln.ac.uk/afloris__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopYfC8K88$> (Lincoln
> University, UK)
>
> *Andrea Ferretti*
> <https://urldefense.us/v3/__http:/max-centre.eu/andrea-ferretti-0__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopWdkkPV8$> (CNR
> Modena, Italy)
>
> *Matteo Cococcioni*
> <https://urldefense.us/v3/__https:/fisica.unipv.it/personale/Persona.php?ID=505__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScop95MfL88$> (University
> of Pavia, Italy)
>
> Yours sincerely,
>
> Iurii Timrov, Nicola Colonna, Matteo Cococcioni, and Andrea Ferretti
>
>
> ------------------------------
>
> *From:* Iurii TIMROV
> *Sent:* Friday, July 29, 2022 11:02:37 AM
> *To:* users at lists.quantum-espresso.org
> *Subject:* Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans
> functionals from linear response
>
>
>
> Dear Quantum ESPRESSO community,
>
>
>
> We are pleased to announce  the "Advanced Quantum ESPRESSO tutorial:
> Hubbard and Koopmans functionals from linear response".
>
>
>
> *Dates:* 9-11 November 2022
>
> *Format:* Online
>
> *Registration fee: *0 (free of charge)
>
> *Deadline for applications:* 1 October 2022
>
> *Website of the event:* https://sites.google.com/view/hubbard-koopmans
> <https://urldefense.us/v3/__https:/sites.google.com/view/hubbard-koopmans__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAEyCQ_Y$>
>
>
>
> 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://urldefense.us/v3/__https:/fhrc.huji.ac.il/people/leeor-kronik__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScop3gChB0c$>
> (Weizmann Institute of Science, Israel)
>
> *Renata Wentzcovitch*
> <https://urldefense.us/v3/__https:/www.apam.columbia.edu/faculty/renata-wentzcovitch__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAo4VrBs$>
> (Columbia University, USA)
>
> *Matteo Gatti*
> <https://urldefense.us/v3/__https:/etsf.polytechnique.fr/People/Matteo__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopyvH3eRc$>
> (École Polytechnique, France)
>
>
>
> *Lecturers:*
>
> *Nicola Marzari*
> <https://urldefense.us/v3/__https:/people.epfl.ch/nicola.marzari__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScoptl25ykI$>
> (EPFL and PSI, Switzerland)
>
> *Giovanni Pizzi*
> <https://urldefense.us/v3/__https:/people.epfl.ch/giovanni.pizzi__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopv81iNZY$>
> (EPFL and PSI, Switzerland)
>
> *Edward Linscott*
> <https://urldefense.us/v3/__https:/people.epfl.ch/edward.linscott__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScop4O46E0c$> (EPFL,
> Switzerland)
>
> *Iurii Timrov*
> <https://urldefense.us/v3/__https:/people.epfl.ch/iurii.timrov__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopObDp1FI$>
> (EPFL, Switzerland)
>
> *Nicola Colonna*
> <https://urldefense.us/v3/__https:/www.psi.ch/en/lns/people/nicola-colonna__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScoppFa5tDw$>
> (PSI, Switzerland)
>
> *Andrea Floris*
> <https://urldefense.us/v3/__https:/staff.lincoln.ac.uk/afloris__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopYfC8K88$>
> (Lincoln University, UK)
>
> *Andrea Ferretti*
> <https://urldefense.us/v3/__http:/max-centre.eu/andrea-ferretti-0__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopWdkkPV8$> (CNR
> Modena, Italy)
>
>
>
> *Matteo Cococcioni*
> <https://urldefense.us/v3/__https:/fisica.unipv.it/personale/Persona.php?ID=505__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScop95MfL88$>
> (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
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