1st Edition
Computational Methods for Transition States and Pathways in Rare Events
By Shuting Gu
Copyright 2025
148 Pages
33 B/W Illustrations
by
CRC Press
148 Pages
33 B/W Illustrations
by
CRC Press
Also available as eBook on:
Based on the calculation of transition states and the identification of transition paths, this book aims to provide a comprehensive guide to understanding and simulating rare events.
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... Read more
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
Biography
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.
