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UID:69df09fe2872f
DTSTAMP:20260414T234606
DTSTART:20141208T140000
SEQUENCE:0
TRANSP:OPAQUE
DTEND:20141208T153000
URL:https://murmitoyen.com/events/vanille/udem/detail/501698
LOCATION:Université de Montréal - Pavillon J.-Armand-Bombardier\, 5155\, 
 chemin de la rampe \, Montréal\, QC\, Canada\, H3T 2B2
SUMMARY:Conférence du Professeur Geoffroy Hautier (UCL)
DESCRIPTION:Titre : Searching for New High Performance Materials with ab in
 itio High-Throughput Computing.Endroit : Pavillon J.-A.-Bombardier\, salle
  1035 à 14hHôte : Professeur Michael DolléCette conférence sera prono
 ncée (en anglais) par le Professeur Geoffrey Hautier\, de l'institut de l
 a Matière Condensée et des Nanosciences à l'Université Catholique de L
 ouvain (Belgique).Résumé : Many essential materials properties can nowad
 ays be computed through ab initio methods. When coupled with the exponenti
 al rise in computational power available to research groups\, this predict
 ive power provides the opportunity for large-scale computational searches 
 for new materials. Thousands of materials can be screened by their compute
 d properties even before their full experimental analysis\, focusing exper
 iments on the most promising candidates and rapidly exploring new chemical
  spaces. In this talk\, I will present the results from this approach appl
 ied in two different fields: Li-ion batteries and p-type transparent condu
 cting oxides (TCOs). I will discuss how (sometimes surprising) new compoun
 ds can be identified through this approach but also how large computationa
 l databases can show trends\, opportunities and limits to materials techno
 logies. In the last part of my talk\, I will introduce the Materials Proje
 ct : a large publicly available database of materials properties obtained 
 by ab initio high-throughput computing.Information supplémentaire sur le 
 laboratoire NAPSInformation supplémentaire sur Materials ProjectAnnonce P
 DF de la conférence
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