Analyse mathématique de méthodes numériques stochastiques en dynamique moléculaire

Analyse mathématique de méthodes numériques stochastiques en dynamique moléculaire

En physique statistique computationnelle, de bonnes techniques d'échantillonnage sont nécessaires pour obtenir des propriétés macroscopiques à travers des moyennes sur les états microscopiques. La principale difficulté est que ces états microscopiques sont généralement regroupés autour de confi...

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Bibliographic Details
Main Author:	Alrachid, Houssam
Other Authors:	Paris Est
Language:	fr en
Published:	2015
Subjects:	Méthode adaptative de force biaisante Projection de Helmholtz Reduction de variance Equation de Fokker Planck Energie libre Metastabilité Adaptive biasing force method Helmholtz projection Variance reduction Fokker Planck equation Free energy Metastability
Online Access:	http://www.theses.fr/2015PESC1115/document

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