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DTSTAMP:20260413T040305
DTSTART:20160613T113000
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URL:https://murmitoyen.com/events/vanille/udem/detail/704744-defect-driven-
 computational-materials-science-goes-2d-pascal-pochet-cea-grenoble
LOCATION:Université de Montréal - Pavillon Claire-McNicoll\, 2900\, chemi
 n de la Tour\, Montréal\, QC\, Canada\, H3T 1J6
SUMMARY:Defect-driven computational materials science goes 2D - Pascal Poch
 et (CEA Grenoble)
DESCRIPTION:Pascal Pochet\, Laboratoire de simulation atomistique (L_Sim)\,
  CEA Grenoble
\nRésumé:
\nIn this seminar\, I will present recent result
 s connected to two-dimensional materials with a special emphasis on the ef
 fect of their defects. Most of this work [1-3] is done using the BigDFT pa
 ckage that allows to properly describe surfaces at the DFT level (http://b
 igdft.org). Next\, I will describe how one can rationalize interface misf
 it dislocations in two dimensions [4]. Finally\, I will discuss how atomic
  scale description allows understanding the tailoring of graphene properti
 es [5-6].
\n[1] S. Krishnan\, et al. Appl. Phys. Lett. 103 251904 (20
 13) [2] S. Mathur\, et al. Phys. Rev. B (R) 92 161410 (2015) [3] Y. 
 Wang\, et al. Phys. Rev. B 90\, 214435 (2014) [4] B. McGuigan\, et a
 l. Phys. Rev. B 93\, in press (2016)  [5] M Scardamaglia\, et al. C
 arbon 73\, 371-381 (2014) [6] A. Turynina\, et al. Carbon 102\, 499-50
 5 (2016)   More papers of Pascal : https://scholar.google.fr/citations?h
 l=fr&user=ECb33AMAAAAJ&view_op=list_works&sortby=pubdate
\nCette conféren
 ce est présentée par le RQMP Versant Nord du Département de physique 
 de l'Université de Montréal et le Département de génie physique de P
 olytechnique Montréal.
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