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SUMMARY:Density Functional Theory for Band-Edge Electronic Structure Calcu
 lation
DTSTART:20260622T130000Z
DTEND:20260622T150000Z
DTSTAMP:20260615T173500Z
UID:indico-event-1598@indico.hiskp.uni-bonn.de
DESCRIPTION:Speakers: Zaal Machavariani (Tbilisi State University\, Georgi
 a)\n\nThis presentation offers a concise introduction to density functiona
 l theory as a practical quantum-mechanical framework for describing the el
 ectronic structure of solids. The main focus is on the conceptual foundati
 ons of DFT: the reformulation of the many-electron problem in terms of the
  electron density\, the role of the Hohenberg–Kohn theorems\, the Kohn
 –Sham construction\, and the importance of exchange-correlation approxim
 ations in first-principles calculations. These ideas are then illustrated 
 through an application to Ga-substituted α-Al₂O₃\, used as an example
  of how DFT connects general theoretical principles with atomically resolv
 ed predictions for structure and band-edge behavior in complex oxide mater
 ials. The talk is intended to emphasize DFT both as a formalism and as a w
 orking computational tool for modern condensed-matter and materials resear
 ch.\n\nhttps://indico.hiskp.uni-bonn.de/event/1598/
LOCATION:Nußallee 14-16/3.013 (HISKP) - Seminar Room II (HISKP)
URL:https://indico.hiskp.uni-bonn.de/event/1598/
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