BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Memento EPFL//
BEGIN:VEVENT
SUMMARY:CECAM Psi-k Research Conference: "Electronic-structure simulations
  for large-scale facilities: Opportunities\, challenges\, and roadmaps"
DTSTART;VALUE=DATE:20240528
DTSTAMP:20260509T111033Z
UID:29b59042b4e946e794d57ba2fd8ddde49a80b5353e10304cfba03b56
CATEGORIES:Conferences - Seminars
DESCRIPTION:You can apply to participate and find all the relevant informa
 tion (speakers\, abstracts\, program\,...) on the event website: https://
 www.cecam.org/workshop-details/1207 \n\nREGISTRATION DEADLINE FOR ONSITE 
 PARTICIPATION: 3rd May 2024\n\nThe conference will be streamed openly in 
 webinar mode\, so there is no need to register if one wishes to follow it 
 online.\nThe webinar link is already available here (valid for the whole d
 uration of the event):\nhttps://epfl.zoom.us/j/62787855281?pwd=dzFIWWpKV2h
 DODNmZEJzWktyMnJ3UT09\n\nDescription\nLarge-scale experimental facilities 
 empower cutting-edge scientific discovery and technological innovation in 
 many and diverse fields and with wide-ranging impact\, from condensed matt
 er physics to engineering\, from chemistry to life sciences. They investig
 ate materials and devices that address key societal challenges\, and that 
 go from energy and environment to pharma and healthcare\, from metallurgy 
 to quantum materials.\nThis ambitious area of experimental science is unde
 rgoing a massive expansion driven by next-generation instruments and drama
 tic advances in detector technology\, while also generating ever greater v
 olumes of data. Considering that the capital and operational investments t
 o operate even a single large-scale facility can be of the order of a few 
 hundred-million-euros/year\, it becomes compelling to leverage and advance
  simulations and models to interpret results\, to direct future experiment
 s\, and even optimize on-the-fly running ones. This in turn requires incre
 asingly complex and accurate theoretical models\, software development and
  algorithmic advances\, and synergies between the software\, data\, and co
 mputing infrastructure.\nWhile there are considerable national efforts in 
 many countries\, the existing coordination activities at the international
  level are few and far between\, compared to the vast span of the issues t
 o tackle. This workshop aims to bring together some of these different com
 munities\, and especially those embedded in the national laboratories and 
 large-scale facilities\, to further refine the current vision for theory a
 nd simulations\, to identify and exploit synergies\, and to share best pra
 ctices. CECAM is ideally suited to nucleate such opportunity\, and create 
 momentum across national boundaries.\nOf course\, the landscape sketched a
 bove is very wide\, and does involve not only electronic-structure simulat
 ions\, but also multi-scale and multi-physics simulations\, artificial int
 elligence\, automated or autonomous experiments\, machine learning\, and d
 ata harvesting\, curation\, and mining. We expect that some of these other
  key topics will emerge during the discussion\, but in order to focus the 
 workshop we will mostly deal with electronic-structure simulations\, while
  energizing the community for future CECAM workshops exploring these other
  crucial topics.\nThe program will feature deep dives in core areas where 
 electronic-structure simulations are either established\, or are fast deve
 loping. In the first case\, the challenge will be on how to lower the barr
 ier to broader adoption of these capabilities by the community\; in the se
 cond case\, the challenge will be in identifying the needs and limitations
  of current approaches\, and the most promising and collaborative path for
 ward. These will be the six core topics:\n\n	Electrons and phonons (vibrat
 ional spectroscopies\, direct and inverse photoemission\, optical absorpti
 on and luminescence)\n	Magnetic spectroscopies (NMR\, EPR\, muons\, magnon
 s)\n	X-ray spectroscopies (XPS\, XAS\, RIXS\, Compton\, XMCD)\n	Real-time\
 , ultrafast\, pump–probe\n	Light-matter interactions\n	APIs for data and
  workflows\n\nThese activities will be followed by an additional half day 
 to prepare possible roadmaps for the field – understanding that these sh
 ould not be prescriptive but rather energize communities to work together.
 \nReferences for the state-of-the-art in the field can be found in Table 2
  of “Electronic-structure methods for materials design”\, by N. Marzar
 i\, A. Ferretti\, and C. Wolverton\, Nature Materials 20\, 736-749 (2021)
 .\n\nReference\n[1] N. Marzari\, A. Ferretti\, C. Wolverton\, Nat. Mater.\
 , 20\, 736-749 (2021)\n 
LOCATION:BCH 2103 https://plan.epfl.ch/?room==BCH%202103
STATUS:CONFIRMED
END:VEVENT
END:VCALENDAR