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- CERMICSFR4 papers
- École nationale des ponts et chausséesFR3 papers
- Institut national de recherche en sciences et technologies du numériqueFR3 papers
- Centre National de la Recherche ScientifiqueFR2 papers
- Centre d'Enseignement et de Recherche en Environnement AtmosphériqueFR1 paper
- Laboratoire de Mathématiques de BesançonFR1 paper
- Laboratoire d'Hydraulique Saint-VenantFR1 paper
- Laboratoire NavierFR1 paper
- PHENIX laboratoryFR1 paper
- Réseau sur le Stockage Electrochimique de l'énergieFR1 paper
- RWTH Aachen UniversityDE1 paper
- Sorbonne UniversitéFR1 paper
5 papers · 1 filter
Error estimates and variance reduction for nonequilibrium stochastic dynamics
Gabriel Stoltz
Equilibrium properties in statistical physics are obtained by computing averages with respect to Boltzmann-Gibbs measures, sampled in practice using ergodic dynamics such as the La…
Non-intrusive implementation of a wide variety of Multiscale Finite Element Methods
Rutger A. Biezemans, Claude Le Bris, Frédéric Legoll +1
Multiscale Finite Element Methods (MsFEMs) are now well-established finite element type approaches dedicated to multiscale problems. They first compute local, oscillatory, problem-…
Numerical stability and efficiency of response property calculations in density functional theory
Eric Cancès, Michael F. Herbst, Gaspard Kemlin +2
Response calculations in density functional theory aim at computing the change in ground-state density induced by an external perturbation. At finite temperature these are usually…
On basis set optimisation in quantum chemistry
Eric Cancès, Geneviève Dusson, Gaspard Kemlin +1
In this article, we propose general criteria to construct optimal atomic centered basis sets in quantum chemistry. We focus in particular on two criteria, one based on the ground-s…
A priori error analysis of linear and nonlinear periodic Schr{ö}dinger equations with analytic potentials
Eric Cancès, Gaspard Kemlin, Antoine Levitt
This paper is concerned with the numerical analysis of linear and nonlinear Schr{ö}dinger equations with analytic potentials. While the regularity of the potential (and the source…