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

[Nicola Marzari]

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

-- 
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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