High-index saddle dynamics for the automated mapping of reaction routes

Jianyuan Yin, Vedant Bahadur, Zekun Shi, Vitalii Sagan, Victor Posligua, Qianxiao Li, Stephen Gregory Dale

Submission Type: I want my submission to be considered for both oral and poster presentation.

Keywords: Reaction Route Map, Density Functional Theory, Data Generation, Saddle Point

TL;DR: A new method for finding molecular saddle-points and reaction paths.

Confirmation Of Submission Requirements: I submit an abstract. It uses the template provided on the submission page and is no longer than 2 pages.

Submission Number: 188