18 citations
- 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
6 papers
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…
About the structural stability of Maxwell fluids: convergence toward elastodynamics
Sébastien Boyaval
Maxwell's models for viscoelastic flows are famous for their potential to unify elastic motions of solids with viscous motions of liquids in the continuum mechanics perspective. Bu…
Frequency and field-dependent response of confined electrolytes from Brownian dynamics simulations
Thê Hoang Ngoc Minh, Gabriel Stoltz, Benjamin Rotenberg
Using Brownian dynamics simulations, we investigate the effects of confinement, adsorption on surfaces and ion-ion interactions on the response of confined electrolyte solutions to…
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…