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Sampling Methods Stochastic Differential Equations Meta-Stability Free Energy Perturbation Thermodynamic Integration Constrained Dynamics Non-Equilibrium Methods Fluctuation Identities Jarzynski… (More)

Abstract We analyse a non-linear micro–macro model of polymeric fluids in the case of a shear flow. More precisely, we consider the FENE dumbbell model, which models polymers by nonlinear springs,… (More)

The question of coarse-graining is ubiquitous in molecular dynamics. In this paper, we are interested in deriving effective properties for the dynamics of a coarse-grained variable ξ(x), where x… (More)

In this article, we present a greedy algorithm based on a tensor product decomposition, whose aim is to compute the global minimum of a strongly convex energy functional. We prove the convergence of… (More)

We present in this paper the numerical analysis of a simple micro–macro simulation of a polymeric fluid flow, namely the shear flow for the Hookean dumbbells model. Although restricted to this… (More)

Preface 1. The magnetohydrodynamics equations 2. Mathematical analysis of one-fluid problems 3. Numerical approximations of one-fluid problems 4. Mathematical analysis of two-fluid problems 5.… (More)

We investigate mathematically a nonlinear approximation type approach recently introduced in Ammar et al. (J. Non-Newtonian Fluid Mech. 139:153–176, 2006) to solve high-dimensional partial… (More)

In this paper, we investigate the long-time behavior of some micro-macro models for polymeric fluids (Hookean model and FENE model), in various settings (shear flow, general bounded domain with… (More)

We consider the problem of sampling a Boltzmann-Gibbs probability distribution when this distribution is restricted (in some suitable sense) on a manifold ! of R n implicitly defined by N constraints… (More)

We propose a proof of convergence of an adaptive method used in molecular dynamics to compute free energy profiles. Mathematically, it amounts to studying the long-time behavior of a stochastic… (More)