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# Documents  Stoltz, Gabriel | enregistrements trouvés : 12

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## An introduction to molecular dynamics Stoltz, Gabriel | CIRM H

Post-edited

Research talks;Partial Differential Equations;Probability and Statistics

The aim of this two-hour lecture is to present the mathematical underpinnings of some common numerical approaches to compute average properties as predicted by statistical physics. The first part provides an overview of the most important concepts of statistical physics (in particular thermodynamic ensembles). The aim of the second part is to provide an introduction to the practical computation of averages with respect to the Boltzmann-Gibbs measure using appropriate stochastic dynamics of Langevin type. Rigorous ergodicity results as well as elements on the estimation of numerical errors are provided. The last part is devoted to the computation of transport coefficients such as the mobility or autodiffusion in fluids, relying either on integrated equilibrium correlations à la Green-Kubo, or on the linear response of nonequilibrium dynamics in their steady-states. The aim of this two-hour lecture is to present the mathematical underpinnings of some common numerical approaches to compute average properties as predicted by statistical physics. The first part provides an overview of the most important concepts of statistical physics (in particular thermodynamic ensembles). The aim of the second part is to provide an introduction to the practical computation of averages with respect to the Boltzmann-Gibbs ...

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## Collective dynamics in life sciences - Lecture 1. Collective dynamics and self-organization in biological systems: challenges and some examples Degond, Pierre | CIRM H

Post-edited

Research School;Partial Differential Equations;Mathematical Physics;Mathematics in Science and Technology

Lecture 1. Collective dynamics and self-organization in biological systems : challenges and some examples.

Lecture 2. The Vicsek model as a paradigm for self-organization : from particles to fluid via kinetic descriptions

Lecture 3. Phase transitions in the Vicsek model : mathematical analyses in the kinetic framework.

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## Large-time behavior in (hypo)coercive ODE-systems and kinetic models Arnold, Anton | CIRM H

Post-edited

Research talks

In this talk we discuss the convergence to equilibrium in conservative-dissipative ODE-systems, kinetic relaxation models (of BGK-type), and Fokker-Planck equation. This will include symmetric, non-symmetric and hypocoercive evolution equations. A main focus will be on deriving sharp decay rates.
We shall start with hypocoercivity in ODE systems, with the ”hypocoercivity index” characterizing its structural complexity.
BGK equations are kinetic transport equations with a relaxation operator that drives the phase space distribution towards the spatially local equilibrium, a Gaussian with the same macroscopic parameters. Due to the absence of dissipation w.r.t. the spatial direction, convergence to the global equilibrium is only possible thanks to the transport term that mixes various positions. Hence, such models are hypocoercive.
We shall prove exponential convergence towards the equilibrium with explicit rates for several linear, space periodic BGK-models in dimension 1 and 2. Their BGK-operators differ by the number of conserved macroscopic quantities (like mass, momentum, energy), and hence their hypocoercivity index. Our discussion includes also discrete velocity models, and the local exponential stability of a nonlinear BGK-model.
The third part of the talk is concerned with the entropy method for (non)symmetric Fokker-Planck equations, which is a powerful tool to analyze the rate of convergence to the equilibrium (in relative entropy and hence in L1). The essence of the method is to first derive a differential inequality between the first and second time derivative of the relative entropy, and then between the entropy dissipation and the entropy. For hypocoercive Fokker-Planck equations, i.e. degenerate parabolic equations (with drift terms that are linear in the spatial variable) we modify the classical entropy method by introducing an auxiliary functional (of entropy dissipation type) to prove exponential decay of the solution towards the steady state in relative entropy. The obtained rate is indeed sharp (both for the logarithmic and quadratic entropy). Finally, we extend the method to the kinetic Fokker-Planck equation (with nonquadratic potential).
In this talk we discuss the convergence to equilibrium in conservative-dissipative ODE-systems, kinetic relaxation models (of BGK-type), and Fokker-Planck equation. This will include symmetric, non-symmetric and hypocoercive evolution equations. A main focus will be on deriving sharp decay rates.
We shall start with hypocoercivity in ODE systems, with the ”hypocoercivity index” characterizing its structural complexity.
BGK equations are kinetic ...

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## Steady states and long range correlations in driven systems - Lecture 1 Mukamel, David | CIRM H

Multi angle

Research School;Mathematical Physics

In these three lectures steady states and dynamical properties of nonequilibrium systems will be discussed.
Systems driven out of thermal equilibrium often reach a steady state which under generic conditions exhibits long-range correlations. This is very different from systems in thermal equilibrium where long-range correlations develop only at phase transition points. In some cases these correlations even lead to long-range order in d=1 dimension, of the type occurring in traffic jams. Simple examples of such correlations induced in the steady state of driven systems will be presented and discussed. Close correspondence of these nonequilibrium steady states to electrostatic potentials induces by charge distribution will be pointed out.
Another class which will be discussed is that of systems with boundary drive, such as in heat conduction problems, where anomalous heat conduction takes place in low dimensions. In addition some similarities between driven systems and equilibrium systems with long-range interactions will be elucidated.
In these three lectures steady states and dynamical properties of nonequilibrium systems will be discussed.
Systems driven out of thermal equilibrium often reach a steady state which under generic conditions exhibits long-range correlations. This is very different from systems in thermal equilibrium where long-range correlations develop only at phase transition points. In some cases these correlations even lead to long-range order in d=1 ...

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## Steady states and long range correlations in driven systems - Lecture 2 Mukamel, David | CIRM H

Multi angle

Research School;Mathematical Physics

In these three lectures steady states and dynamical properties of nonequilibrium systems will be discussed.
Systems driven out of thermal equilibrium often reach a steady state which under generic conditions exhibits long-range correlations. This is very different from systems in thermal equilibrium where long-range correlations develop only at phase transition points. In some cases these correlations even lead to long-range order in d=1 dimension, of the type occurring in traffic jams. Simple examples of such correlations induced in the steady state of driven systems will be presented and discussed. Close correspondence of these nonequilibrium steady states to electrostatic potentials induces by charge distribution will be pointed out.
Another class which will be discussed is that of systems with boundary drive, such as in heat conduction problems, where anomalous heat conduction takes place in low dimensions. In addition some similarities between driven systems and equilibrium systems with long-range interactions will be elucidated.
In these three lectures steady states and dynamical properties of nonequilibrium systems will be discussed.
Systems driven out of thermal equilibrium often reach a steady state which under generic conditions exhibits long-range correlations. This is very different from systems in thermal equilibrium where long-range correlations develop only at phase transition points. In some cases these correlations even lead to long-range order in d=1 ...

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## Collective dynamics in life sciences - Lecture 2. The Vicsek model as a paradigm for self-organization: from particles to fluid via kinetic descriptions Degond, Pierre | CIRM H

Multi angle

Research School;Partial Differential Equations;Mathematical Physics;Mathematics in Science and Technology

Lecture 1. Collective dynamics and self-organization in biological systems : challenges and some examples.

Lecture 2. The Vicsek model as a paradigm for self-organization : from particles to fluid via kinetic descriptions

Lecture 3. Phase transitions in the Vicsek model : mathematical analyses in the kinetic framework.

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## Collective dynamics in life sciences - Lecture 3. Phase transitions in the Vicsek model: mathematical analyses in the kinetic framework Degond, Pierre | CIRM H

Multi angle

Research School;Partial Differential Equations;Mathematical Physics;Mathematics in Science and Technology

Lecture 1. Collective dynamics and self-organization in biological systems : challenges and some examples.

Lecture 2. The Vicsek model as a paradigm for self-organization : from particles to fluid via kinetic descriptions

Lecture 3. Phase transitions in the Vicsek model : mathematical analyses in the kinetic framework.

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## Rare event simulation for molecular dynamics Guyader, Arnaud | CIRM H

Multi angle

Research talks

This talk is devoted to the presentation of algorithms for simulating rare events in a molecular dynamics context, e.g., the simulation of reactive paths. We will consider $\mathbb{R}^d$ as the space of configurations for a given system, where the probability of a specific configuration is given by a Gibbs measure depending on a temperature parameter. The dynamics of the system is given by an overdamped Langevin (or gradient) equation. The problem is to find how the system can evolve from a local minimum of the potential to another, following the above dynamics. After a brief overview of classical Monte Carlo methods, we will expose recent results on adaptive multilevel splitting techniques. This talk is devoted to the presentation of algorithms for simulating rare events in a molecular dynamics context, e.g., the simulation of reactive paths. We will consider $\mathbb{R}^d$ as the space of configurations for a given system, where the probability of a specific configuration is given by a Gibbs measure depending on a temperature parameter. The dynamics of the system is given by an overdamped Langevin (or gradient) equation. The ...

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## From cluster algorithms to PDMP algorithms: a Monte Carlo story of symmetry exploitation Michel, Manon | CIRM H

Multi angle

Research talks

During this talk, I will present how the development of non-reversible algorithms by piecewise deterministic Markov processes (PDMP) was first motivated by the impressive successes of cluster algorithms for the simulation of lattice spin systems. I will especially stress how the spin involution symmetry crucial to the cluster schemes was replaced by the exploitation of more general symmetry, in particular thanks to the factorization of the energy function. During this talk, I will present how the development of non-reversible algorithms by piecewise deterministic Markov processes (PDMP) was first motivated by the impressive successes of cluster algorithms for the simulation of lattice spin systems. I will especially stress how the spin involution symmetry crucial to the cluster schemes was replaced by the exploitation of more general symmetry, in particular thanks to the factorization of the ...

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## Semiclassical methods for Langevin dynamics at low temperature Laurent, Michel | CIRM H

Multi angle

Research talks

Semiclassical methods have shown to be very efficient to get quantitative description of metastability of Langevin dynamics. In this talk we try to explain the main ideas of this approach in both reversible and non-reversible cases.

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## Multiscale modeling for soft matter - Perspectives and challenges Kremer, Kurt | CIRM H

Multi angle

Research talks

Material properties of soft matter are governed by a delicate interplay of energetic and entropic contributions. In other words, generic universal aspects are as relevant as local chemistry specific properties. Thus many different time and length scales are intimately coupled, which often makes a clear separation of scales difficult. This introductory lecture will review recent advances in multiscale modeling of soft matter. This includes different approaches of sequential and concurrent coupling. Furthermore problems of representability and transferability will be addressed as well as the question of scaling of time upon coarse graining. Finally some new developments related to data driven methods will be shortly mentioned. Material properties of soft matter are governed by a delicate interplay of energetic and entropic contributions. In other words, generic universal aspects are as relevant as local chemistry specific properties. Thus many different time and length scales are intimately coupled, which often makes a clear separation of scales difficult. This introductory lecture will review recent advances in multiscale modeling of soft matter. This includes ...

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## Free energy computations:a mathematical perspective Lelièvre, Tony ; Rousset, Mathias ; Stoltz, Gabriel | Imperial College Press 2010

Ouvrage

- xii; 458 p.
ISBN 978-1-84816-247-1

Localisation : Ouvrage RdC (LELI)

physique # analyse numérique # energie libre # thermodynamique statistique # méthode adaptative

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