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Finite Volumes for Simulation of Large Molecules

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Finite Volumes for Complex Applications X—Volume 1, Elliptic and Parabolic Problems (FVCA 2023)

Part of the book series: Springer Proceedings in Mathematics & Statistics ((PROMS,volume 432))

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Abstract

We study a finite volume scheme for simulating the evolution of large molecules within their reduced state space. The finite volume scheme under consideration is the SQRA scheme developed by Lie, Weber and Fackeldey. We study convergence of a more general family of FV schemes in up to 3 dimensions and provide a convergence result for the SQRA-scheme in arbitrary space dimensions.

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References

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Author information

Authors and Affiliations

  1. Weierstrass Institute for Applied Analysis and Stochastics, Berlin, 10117, Germany

    Martin Heida

Authors
  1. Martin Heida
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Correspondence to Martin Heida .

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Editors and Affiliations

  1. IRMA, Strasbourg, France

    Emmanuel Franck

  2. Weierstrass Institute, Berlin, Germany

    Jürgen Fuhrmann

  3. IRMA, Strasbourg, France

    Victor Michel-Dansac

  4. IRMA, Strasbourg, France

    Laurent Navoret

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© 2023 The Author(s), under exclusive license to Springer Nature Switzerland AG

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Heida, M. (2023). Finite Volumes for Simulation of Large Molecules. In: Franck, E., Fuhrmann, J., Michel-Dansac, V., Navoret, L. (eds) Finite Volumes for Complex Applications X—Volume 1, Elliptic and Parabolic Problems. FVCA 2023. Springer Proceedings in Mathematics & Statistics, vol 432. Springer, Cham. https://doi.org/10.1007/978-3-031-40864-9_25

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