## Abstract

This chapter 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.

Original language | English |
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Title of host publication | Dynamical Systems, Number Theory and Applications |

Subtitle of host publication | A Festschrift in Honor of Armin Leutbecher's 80th Birthday |

Publisher | World Scientific Publishing Co. Pte Ltd |

Pages | 221-254 |

Number of pages | 34 |

ISBN (Electronic) | 9789814699877 |

ISBN (Print) | 9789814699860 |

DOIs | |

State | Published - 1 Apr 2016 |

Externally published | Yes |