A convergent string method: existence and approximation for the Hamiltonian boundary-value problem

DOI10.1142/9789814699877_0012MaRDI QIDQ2832887zbMATH OpenOpenAlexWikidataFDO

Authors Johannes Zimmer, Hartmut Schwetlick

Publication date 15 November 2016

Published in Dynamical Systems, Number Theory and Applications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1502.01741

zbMATH Keywords

geodesic solutionsHamiltonian boundary value problemJacobi's principlelong-time solutionsnumerical approximationstring methodtransition trajectories

Mathematics Subject Classification ID

Hamilton-Jacobi equations (35F21) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Approximation methods and numerical treatment of dynamical systems (37M99) Discrete version of topics in analysis (39A12) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Long-time behavior of solutions for dynamical problems in solid mechanics (74H40)

Abstract: This article studies the existence of long-time solutions to the Hamiltonian boundary value problem, and their consistent numerical approximation. Such a boundary value problem is, for example, common in Molecular Dynamics, where one aims at finding a dynamic trajectory that joins a given initial state with a final one, with the evolution being governed by classical (Hamiltonian) dynamics. The setting considered here is sufficiently general so that long time transition trajectories connecting two configurations can be included, provided the total energy $E$ is chosen suitably. In particular, the formulation presented here can be used to detect transition paths between two stable basins and thus to prove the existence of long-time trajectories. The starting point is the formulation of the equation of motion of classical mechanics in the framework of Jacobi's principle; a curve shortening procedure inspired by Birkhoff's method is then developed to find geodesic solutions. This approach can be viewed as a string method.

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