[QE-users] Fireside chats for lockdown times: A gentle introduction to density-functional theory
Nicola Marzari
nicola.marzari at epfl.ch
Wed Apr 8 09:43:23 CEST 2020
Dear Ian,
very nice to hear from you! Carey here in cc was going to prepare a
tweet for our MARVEL NCCR - you'd be superwelcome to retweet or do one
of your own - whatever you prefer. And thanks a lot!
We do not do facebook, so again mostly welcome there!
nicola
On 07/04/2020 22:35, Ian Shuttleworth wrote:
> 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
> <mailto: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 <mailto:360496579 at zoomcrc.com>
>
> Second webinar: (password as above)
> Meeting ID: 387 981 888
> SIP: 387981888 at zoomcrc.com <mailto:387981888 at zoomcrc.com>
>
> Third webinar: (password as above)
> Meeting ID: 535 473 835
> SIP: 535473835 at zoomcrc.com <mailto: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
>
>
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--
----------------------------------------------------------------------
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
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