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    3. Computational Methods for Transition States and Pathways in Rare Events

    Computational Methods for Transition States and Pathways in Rare Events

    Posted By: hill0
    Date: 21 May 2025 15:31:26
    Computational Methods for Transition States and Pathways in Rare Events

    Computational Methods for Transition States and Pathways in Rare Events
    English | 2025 | ISBN: 1032996471 | 149 Pages | PDF EPUB (True) | 15.5 MB

    The author introduces both fundamental concepts of transition states and pathways and advanced computational techniques, focusing on Gentlest Ascent Dynamics (GAD) and its variants. In particular, she explores enhanced numerical methods such as the convex splitting method and the Scalar Auxiliary Variable (SAV) approach within the Iterative Minimization Formulation (IMF). In addition, the book applies these methods to real-world problems, highlighting the string method and the geometric Minimum Action Method (gMAM) for computing transition paths.
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