Shuting Gu

Computational Methods for Transition States and Pathways in Rare Events

• Gebundenes Buch

Produktbeschreibung

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.

Produktdetails

• Verlag: Taylor & Francis Ltd
• Seitenzahl: 130
• Erscheinungstermin: 21. Mai 2025
• Englisch
• Abmessung: 264mm x 186mm x 14mm
• Gewicht: 442g
• ISBN-13: 9781032996479
• ISBN-10: 1032996471
• Artikelnr.: 72654889

Autorenporträt

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.

Inhaltsangabe

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