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
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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 / KeywordsMolecular simulation; Mathematical simulation; Review; Nonlinear analysis; Mathematical physics
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