An algorithm for computing phase space structures in chemical reaction dynamics using Voronoi tessellation
DOI10.1016/j.physd.2021.133047zbMath1490.92132OpenAlexW3204384772MaRDI QIDQ2077806
Saki Miyashita, Yutaka Nagahata, Hiroshi Teramoto, Tamiki Komatsuzaki, Yuta Mizuno, Mikoto Takigawa
Publication date: 22 February 2022
Published in: Physica D (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.physd.2021.133047
Voronoi diagramHamiltonian systeminvariant manifoldtesselationnumerical algorithmPoincaré surfacechemical reaction dynamicsphase space geometryreactive islands
Classical flows, reactions, etc. in chemistry (92E20) Dynamical systems in biology (37N25) Dynamical aspects of finite-dimensional Hamiltonian and Lagrangian systems (37J99) Molecular physics (81V55) Invariant manifolds for ordinary differential equations (34C45) Mesh generation, refinement, and adaptive methods for ordinary differential equations (65L50)
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