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Nonlinearity 21, 9 (2008) T165-T176
Molecular simulation and related topics : some open mathematical problems
Eric Cancès 1, 2, Claude Le Bris 1, 2, Pierre-Louis Lions 3
(2008-06-01)

This paper presents some open mathematical questions in molecular simulation and related topics. Molecular simulation is a broad field, of major practical interest, which has received little attention from the mathematical community for years. The situation is rapidly changing. We review here some mathematical questions that we find the most challenging ones among the many that remain unsolved.
1:  Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique (CERMICS)
Ecole des Ponts ParisTech
2:  MICMAC (INRIA Paris - Rocquencourt)
Ecole des Ponts ParisTech – INRIA
3:  CEntre de REcherches en MAthématiques de la DEcision (CEREMADE)
CNRS : UMR7534 – Université Paris IX - Paris Dauphine
Mathematics/General Mathematics