AVVISO DI CONFERENZA

Moreau-Yosida Regularization for Density-Functional Theory
André Laestadius
Oslo University

MARTEDI’ 14 LUGLIO 2026, ore 15:00
presso l’aula INFORMATICA (IV piano) del DIPARTIMENTO DI SCIENZE CHIMICHE E FARMACEUTICHE
Università di Trieste, Edificio C11, Via Giorgieri 1

Abstract
Standard density-functional theory faces a fundamental mathematical challenge: the universal
functional is discontinuous on the natural non-reflexive Banach density space. In this talk, I will
elaborate on a non-reflexive formulation of Moreau-Yosida regularization that resolves this issue.
This problem is interesting in its own right but is also motivated by approximation schemes that
require a continuous density functional, such as neural network approximations. It also has
applications for Kohn-Sham iterations, both for the forward and the inverse scheme.

Short CV:
Born in Sweden, Andre holds a PhD in Applied Mathematics from KTH Royal Institute of Technology.
He is currently the PI of the ERC Starting Grant REGAL. He is associate professor at the department
of computer science at OsloMet and adjunct associate professor at the department of chemistry at
University of Oslo. His research centers on mathematical quantum chemistry, particularly density-
functional theory and coupled-cluster methods. His current work focuses on Moreau-Yosida
regularization in density-functional theory.