3 papers
physics.comp-ph2025
Copula methods for modeling pair densities in density functional theory
Geneviève Dusson, Claudia Klüppelberg, Gero Friesecke
We propose a new approach towards approximating the density-to-pair-density map based on copula theory from statistics. We extend the copula theory to multi-dimensional marginals,…
math.OC2024
Comparison between tensor methods and neural networks in electronic structure calculations
Mathias Dus, Geneviève Dusson, Virginie Ehrlacher +2
This article compares the tensor method density matrix renormalization group (DMRG) with two neural network based methods -namely FermiNet and PauliNet) for determining the ground…
math.NA2023
An Application of Reduced Basis Methods to Core Computation in APOLLO3
Yonah Conjungo Taumhas, Geneviève Dusson, Virginie Ehrlacher +2
In the aim of reducing the computational cost of the resolution of parameter-dependent eigenvalue problems, a model order reduction (MOR) procedure is proposed. We focus on the cas…