BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Memento EPFL//
BEGIN:VEVENT
SUMMARY:Fireside chats for lockdown times: a gentle introduction to densit
 y-functional theory 2/3
DTSTART:20200416T150000
DTEND:20200416T170000
DTSTAMP:20260929T043748Z
UID:c4dd5ed61b548d9972e96cb034a1b2725e1d87421363c846e8cbb044
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\
 n>> Thu Apr 16\, 3pm-5pm CEST: Density-functional practice <<\nAn introduc
 tion to calculations using the total energy\, planewaves\, pseudopotentia
 l method. Suitable for everyone that wants to learn how to perform a DFT
  calculation. A self-learning handout and a virtual machine with pre-ins
 talled open-source quantum-simulation codes are also available.\nZoom webi
 nar: https://epfl.zoom.us/j/387981888\nPassword: a 4-digit number – t
 he year in which Walter Kohn won the Nobel Prize.\n\nFri Apr 17\, 3pm-5pm
  CEST: Applications and limitations\nAn introduction to the properties th
 at can be calculated with DFT\, their accuracy\, and the practical or con
 ceptual limitations for such calculations. Suitable for everyone that wan
 ts to learn what can\, or cannot\, be done with DFT. Will also answer the
  perennial question "Why is DFT like Tinder?".\nZoom webinar: https://epf
 l.zoom.us/j/535473835\nPassword: a 4-digit number – the year in which Wa
 lter Kohn won the Nobel Prize.\n\nThe webinar videos will be recorded and
  made available (together with the slides) in the Learn section of the M
 aterials Cloud \; during the webinar\, participants will be able to type
  questions in the live chat\; answers to the most topical ones will be pr
 ovided 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 af
 ter the second webinar\, using the Quantum Mobile virtual machine\, that 
 can run on any computer (Windows\, Max\, Linux...) with an Ubuntu Linux e
 nvironment pre-installed with many open-source simulation codes (we'll us
 e 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. 
LOCATION:Online webinar
STATUS:CONFIRMED
END:VEVENT
END:VCALENDAR