[QE-users] Fireside chats for lockdown times: A gentle introduction to density-functional theory

Tue Apr 7 22:35:48 CEST 2020

Nicola,

I think this is a great idea. Is the following link 'share-able' to social
media?

https://www.materialscloud.org/learn/sections/spVa3j/fireside-chats-for-lockdown-times

When I try to invite taught students to this type of event, I use a
combination of Facebook / Twitter because - I'm assured - students read
that sort of thing. Occasionally, promotion this way seems to work, so
would it be possible in this case?

With thanks

Ian Shuttleworth
(Nottingham Trent University)

On Tue, Apr 7, 2020 at 7:02 PM Nicola Marzari <nicola.marzari at epfl.ch>
wrote:

>
>
> Dear friends,
>
>
> a number of colleagues have asked me where to find more information on
> quantum-mechanical simulations during these lockdown times - since I've
> been teaching density-functional theory for a while, I've decided to
> organize 3 public live webinars on the topic, each 2 hours long
> (including a break). These are aimed either at experimental colleagues
> that want to learn more about the field, or at researchers that want to
> start learning more about simulations - feel free to distribute to those
> you think might be interested.
>
> ----
> Wed Apr 15, 3pm-5pm CEST: *Density-functional theory.* An introduction
> to electronic-structure methods and in particular density-functional
> theory. Suitable for everyone that wants to learn what DFT is.
> ----
> Thu Apr 16, 3pm-5pm CEST: *Density-functional practice.* An introduction
> to calculations using the total energy, planewaves, pseudopotential
> method. Suitable for everyone that wants to learn how to perform a DFT
> calculation. A self-learning handout and a virtual machine with
> pre-installed open-source quantum-simulation codes are also available -
> we'll use Quantum ESPRESSO.
> ----
> Fri Apr 17, 3pm-5pm CEST: *Applications and limitations.* An
> introduction to the properties that can be calculated with DFT, their
> accuracy, and the practical or conceptual limitations for such
> calculations. Suitable for everyone that wants to learn what can, or
> cannot, be done with DFT. Will also answer the perennial question "Why
> is DFT like Tinder?".
> ----
>
> Details on how to follow these 3 webinars are given below - note that
> you'll need a 4-digit password (the year in which Walter Kohn won the
> Nobel prize). The webinar videos will be recorded and made available
> (together with the slides) in the Learn section of the Materials Cloud
> (https://www.materialscloud.org/learn); during the webinar, participants
> will be able to type questions in the live chat; answers to the most
> topical ones will be provided later in a PDF file, also in the Learn
> section. For those wanting to try their hands at simulations, there will
> be the chance to do so after the second webinar, using the Quantum
> Mobile virtual machine, that can run on any computer (Windows, Max,
> Linux...) with an Ubuntu Linux environment pre-installed with many
> open-source simulation codes (we'll use Quantum ESPRESSO). Links to the
> Quantum Mobile and the GitHub tutorial material (this latter to be
> finalized in the next few days) will also be available in the Learn
> subsection. All information below - with many thanks to MARVEL and MaX,
> for the IT infrastructure (https://nccr-marvel.ch/ and
> http://www.max-centre.eu/)), and to all the team and partners of the
> Materials Cloud (https://www.materialscloud.org/team,
> https://www.materialscloud.org/home#partners).
>
> I'll conclude with our call for more virtual education and conferences:
> Less carbon, more silicon!
>
>                          nicola marzari
>
>
> Main website: https://www.materialscloud.org/learn - go to the section
> "Fireside chats for lockdown times", subsection "A gentle introduction
> do DFT calculations - April 2020"
>
> Webinars: details on the http links and password are below. These will
> be given on Apr 15/16/17 2020, at 3pm CEST (that's Central European
> Summer Time - i.e. the current time in Rome/Berlin/Paris - you can find
> your local time at https://time.is/compare/1500_15_Apr_2020_in_CEST).
>
> Note that there is a maximum limit of 500 participants, and things can
> go wrong, so if anything does, videos and all material will in any case
> be posted in the Materials Cloud Learn section
> (https://www.materialscloud.org/learn), together with all relevant info
> for those interested.
>
> Password: a 4-digit number - the year in which Walter Kohn won the Nobel
> Prize.
>
> Density-functional theory
> Wed Apr 15, 3pm-5pm CEST
> https://epfl.zoom.us/j/360496579?pwd=VlNtMCtjTW9oRndEalVsaEU0RVFNUT09
> Password: a 4-digit number - the year in which Walter Kohn won the Nobel
> Prize.
>
> Density-functional practice
> Thu Apr 16, 3pm-5pm CEST
> https://epfl.zoom.us/j/387981888?pwd=QThRMnExeXk1NXNqb0lPUlEwT0t3QT09
> Password: a 4-digit number - the year in which Walter Kohn won the Nobel
> Prize.
>
> Applications and limitations
> Fri Apr 17, 3pm-5pm CEST
> https://epfl.zoom.us/j/535473835?pwd=QjF2WTV4c3ZUbGZTT0RYOGJnKzE3Zz09
> Password: a 4-digit number - the year in which Walter Kohn won the Nobel
> Prize.
>
> Or an H.323/SIP room system:
>
>      H.323:
>      162.255.37.11 (US West)
>      162.255.36.11 (US East)
>      221.122.88.195 (China)
>      115.114.131.7 (India Mumbai)
>      115.114.115.7 (India Hyderabad)
>      213.19.144.110 (EMEA)
>      103.122.166.55 (Australia)
>      209.9.211.110 (Hong Kong)
>      64.211.144.160 (Brazil)
>      69.174.57.160 (Canada)
>      207.226.132.110 (Japan)
>
> First webinar: (password as above)
>      Meeting ID: 360 496 579
>      SIP: 360496579 at zoomcrc.com
>
> Second webinar: (password as above)
>      Meeting ID: 387 981 888
>      SIP: 387981888 at zoomcrc.com
>
> Third webinar: (password as above)
>      Meeting ID: 535 473 835
>      SIP: 535473835 at zoomcrc.com
>
> --
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
> Director, National Centre for Competence in Research NCCR MARVEL, EPFL
> http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
>
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
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>
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