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VERSION:2.0
PRODID:-//Memento EPFL//
BEGIN:VEVENT
SUMMARY:Electronic structure reading group - Numerical Analysis of Mean-Fi
 eld Models for Electronic Structure Calculations in Perfect Crystals
DTSTART:20260714T160000
DTEND:20260714T173000
DTSTAMP:20261007T123306Z
UID:70afe70f8e88b474495fa4959f2cc18c18346125fe5959519081d7a8
CATEGORIES:Conferences - Seminars
DESCRIPTION:Dr. Muhammad Hassan\nDr. Muhammad Hassan (group leader at Tech
 nical University of Munich in the Emmy Noether chair of Analysis) will giv
 e a talk in the MatMat reading group on electronic structure\, regarding r
 ecent progress in the rigorous numerical analysis of some famous models of
  computational chemistry (abstract below).\n\nNumerical Analysis of Mean-F
 ield Models for Electronic Structure Calculations in Perfect Crystals\n\nI
 n solid state physics\, the electronic properties of a perfect crystal are
  often described in terms of an energy functional defined on a set of peri
 odic\, locally trace class operators. As a consequence of Bloch's theorem\
 , electronic quantities of interest can be expressed as integrals over the
  Brillouin zone of so-called energy bands\, which are piecewise smooth\, L
 ipschitz continuous periodic functions obtained by solving a parametrised 
 family of periodic\, non-linear elliptic eigenvalue problems. The practica
 l computation of these quantities of interest therefore involves the use o
 f numerical quadrature in the Brillouin zone together with spectral plane-
 wave discretisations of the parameterised family of non-linear eigenvalue 
 problems.\n\n\nIn this talk\, I will discuss the numerical analysis of suc
 h discretisations with a focus on the finite-temperature Kohn-Sham LDA mod
 el. This is joint-work with Eric Cancès (École nationale des ponts\, Par
 is).\n
LOCATION:MA B2 485 https://plan.epfl.ch/?room==MA%20B2%20485
STATUS:CONFIRMED
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