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

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Research talks;Numerical Analysis and Scientific Computing;Probability and Statistics

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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Titres de périodiques et e-books électroniques (Depuis le CIRM)

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