Abstract
This short contribution presents some, in the author’s opinion, unsolved or unsatisfactorily solved mathematical questions in molecular simulation and related topics. Many such questions exist and the particular choice made here aims to emphasize some specific questions that, again in the author’s opinion, would have important and immediate consequences on the current practice of molecular simulation.
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Acknowledgments
The author is grateful to E. Cancès, V. Ehrlacher, F. Legoll, T. Lelièvre, G. Stoltz for their remarks on a preliminary version of the manuscript.
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Le Bris, C. (2014). Some (Important?) Unsolved Mathematical Problems in Molecular Simulation. In: Bach, V., Delle Site, L. (eds) Many-Electron Approaches in Physics, Chemistry and Mathematics. Mathematical Physics Studies. Springer, Cham. https://doi.org/10.1007/978-3-319-06379-9_13
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DOI: https://doi.org/10.1007/978-3-319-06379-9_13
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