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VERSION:2.0
PRODID:-//Memento EPFL//
BEGIN:VEVENT
SUMMARY:Fireside chats for lockdown times: a gentle introduction to densit
 y-functional theory 3/3
DTSTART:20200417T150000
DTEND:20200417T170000
DTSTAMP:20260510T235202Z
UID:6ef495240a879946080d8032ea86ed877a6184a5720fc33aded5d2f6
CATEGORIES:Conferences - Seminars
DESCRIPTION:Nicola Marzari\, THEOS\, EPFL\nDensity-functional theory has b
 ecome a very popular and very powerful approach to the calculation from fi
 rst-principles of the properties of molecules and materials. In these thr
 ee talks\, we will provide a gentle introduction to the fundamentals of de
 nsity-functional theory\, to the calculations that can be done with moder
 n\, open-source codes such as Quantum ESPRESSO\, and to its capabilities 
 and limits.\nA typical target audience would be scientists (e.g. experimen
 tal colleagues) that want to learn more about what is possible and what is
  good for this kind of calculations (and what is not possible\, and what i
 s not good).\n\nWed Apr 15\, 3pm-5pm CEST: Density-functional theory\nAn i
 ntroduction to electronic-structure methods and in particular density-fun
 ctional theory. Suitable for everyone that wants to learn what DFT is.\n\
 nThu Apr 16\, 3pm-5pm CEST: Density-functional practice\nAn introduction 
 to calculations using the total energy\, planewaves\, pseudopotential met
 hod. Suitable for everyone that wants to learn how to perform a DFT calcu
 lation. A self-learning handout and a virtual machine with pre-installed 
 open-source quantum-simulation codes are also available.\n\n>> Fri Apr 17\
 , 3pm-5pm CEST: Applications and limitations <<\nAn introduction to the p
 roperties that can be calculated with DFT\, their accuracy\, and the prac
 tical or conceptual limitations for such calculations. Suitable for every
 one that wants to learn what can\, or cannot\, be done with DFT. Will als
 o answer the perennial question "Why is DFT like Tinder?".\nZoom webinar:
  https://epfl.zoom.us/j/535473835\nPassword: a 4-digit number – the yea
 r in which Walter Kohn won the Nobel Prize.\n\nThe webinar videos will be
  recorded and made available (together with the slides) in the Learn sec
 tion of the Materials Cloud \; during the webinar\, participants will be
  able to type questions in the live chat\; answers to the most topical on
 es 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 chanc
 e to do so after the second webinar\, using the Quantum Mobile virtual ma
 chine\, that can run on any computer (Windows\, Max\, Linux...) with an U
 buntu Linux environment pre-installed with many open-source simulation co
 des (we'll use Quantum ESPRESSO). Links to the Quantum Mobile and the Git
 Hub tutorial material (this latter to be finalized in the next few days) 
 will also be available in the Learn subsection. 
LOCATION:Online webinar
STATUS:CONFIRMED
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