Computational Methods for Transition States and Pathways in Rare Events

Auteur

Shuting Gu is a mathematician specializing in efficient computational algorithms for partial differential equations and rare event studies. Her research focuses on calculating transition states and identifying pathways, with a strong emphasis on advancing computational methods in these areas.

Texte du rabat

Based on the calculation of transition states and the identification of transition paths, the book aims to provide a comprehensive guide to understanding and simulating rare events.

Contenu

1 Introduction 2 Fundamentals of Rare Event Study 3 Variants of Gentlest Ascent Dynamics for Transition States 4 Enhanced Numerical Schemes in IMF for Transition States 5 Computational Methods and Dynamics for Transition Path