Molecular simulation and related topics : some open mathematical problems

Eric Cancès; Claude Le Bris; Pierre-Louis Lions

hal-00667319, version 1

Molecular simulation and related topics : some open mathematical problems

Eric Cancès ^1, 2, Claude Le Bris () ^1, 2, Pierre-Louis Lions ³

Nonlinearity 21, 9 (2008) T165-T176

Abstract: 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

hal-00667319, version 1
http://hal.archives-ouvertes.fr/hal-00667319
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From: Isabelle Bellier <>
Submitted on: Tuesday, 7 February 2012 14:07:31
Updated on: Tuesday, 6 March 2012 13:10:46

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DOI: 10.1088/0951-7715/21/9/T03

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