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VERSION:2.0
PRODID:-//Memento EPFL//
BEGIN:VEVENT
SUMMARY:Electronic structure reading group - Markus Penz
DTSTART:20261022T160000
DTEND:20261022T173000
DTSTAMP:20261023T081901Z
UID:4357d398529b649fdee598fb82deeb41292fa20c2a2db4e596d47489
CATEGORIES:Conferences - Seminars
DESCRIPTION:Markus Penz\nMaxwell-regularized density-functional theory\nSp
 eaker: Markus Penz (OsloMet)\nAbstract:\nDensity-functional theory (DFT) r
 eformulates the quantum-mechanical ground-state problem in terms of the ch
 arge density as a reduced variable and it is the most widely used computat
 ional tool in quantum chemistry today.\nMathematically\, DFT is formulated
  as a convex optimization problem on Lᵖ spaces. However\, the underlyin
 g functional suffers from non-differentiability\, which relates to severe 
 representability problems inherent to the theory.\nIn this talk\, an alter
 native Hilbert-space setting based on homogeneous Sobolev spaces is propos
 ed that directly incorporates Maxwell's equations into the geometric struc
 ture of the spaces. This reformulation not only yields a remarkably elegan
 t formulation of DFT\, but also induces an automatic Moreau–Yosida regul
 arization of the theory\, thus eliminating representability problems entir
 ely.\nI will also discuss the practical consequences of this new formulati
 on\, including implications for numerical implementation.
LOCATION:MA B1 524 https://plan.epfl.ch/?room==MA%20B1%20524
STATUS:CONFIRMED
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