ANKH: A Generalized O(N) Interpolated Ewald Strategy for Molecular Dynamics Simulations

Autor: Chollet, Igor, Lagardère, Louis, Piquemal, Jean-Philip

Publikováno v: J. Chem. Theory Comput. 2023, 19, 10, 2887-2905

To evaluate electrostatics interactions, Molecular dynamics (MD) simulations rely on Particle Mesh Ewald (PME), an O(Nlog(N)) algorithm that uses Fast Fourier Transforms (FFTs) or, alternatively, on O(N) Fast Multipole Methods (FMM) approaches. Howev

Externí odkaz: http://arxiv.org/abs/2212.08284

A Directional Equispaced interpolation-based Fast Multipole Method for oscillatory kernels

Autor: Chollet, Igor, Claeys, Xavier, Fortin, Pierre, Grigori, Laura

Fast Multipole Methods (FMMs) based on the oscillatory Helmholtz kernel can reduce the cost of solving N-body problems arising from Boundary Integral Equations (BIEs) in acoustic or electromagnetics. However, their cost strongly increases in the high

Externí odkaz: http://arxiv.org/abs/2202.04894

Curved interface reconstruction for 2D compressible multi-material flows

Autor: Chollet Igor, Lissoni Giulia, Corot Théo, Hoch Philippe, Leroy Thomas, Dumas Laurent

Publikováno v: ESAIM: Proceedings and Surveys, Vol 67, Pp 178-190 (2020)

In this paper, we describe an interface reconstruction method in two dimension. This method is an extension of DPIR [1], which reconstructs continuous interfaces and preserves partial volumes using dynamic programming. First we extend the method to c

Externí odkaz: https://doaj.org/article/2e4249642f90400293153b8104173b5e

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Curved Interface Reconstruction for 2D Compressible Multi-material Flows

Autor: Lissoni Giulia, Chollet Igor, Corot Théo, Hoch Philippe, Dumas Laurent, Leroy Thomas

Publikováno v: ESAIM: Proceedings and Surveys
ESAIM: Proceedings and Surveys, 2020, 67, pp.178-190. ⟨10.1051/proc/202067011⟩
ESAIM: Proceedings and Surveys, EDP Sciences, 2019, pp.1-10
ESAIM: Proceedings and Surveys, Vol 67, Pp 178-190 (2020)

International audience; In this paper, we describe an interface reconstruction method in two dimension. This method is an extension of DPIR , which reconstructs continuous interfaces and preserves partial volumes using dynamic programming. First we e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1937678927afd708e9d89a5afb9c5780
https://hal.science/hal-02496829/document