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Molecular simulation and related topics: some open mathematical problems

Lions, Pierre-Louis; Le Bris, Claude; Cancès, Eric (2008), Molecular simulation and related topics: some open mathematical problems, Nonlinearity, 21, 9, p. 165-176. http://dx.doi.org/10.1088/0951-7715/21/9/T03

Type
Article accepté pour publication ou publié
Date
2008
Journal name
Nonlinearity
Volume
21
Number
9
Publisher
Institute of Physics
Pages
165-176
Publication identifier
Metadata
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Author(s)
Lions, Pierre-Louis
Le Bris, Claude
Cancès, Eric
Abstract (EN)
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.
Subjects / Keywords
Molecular simulation; Mathematical simulation; Review; Nonlinear analysis; Mathematical physics