𝔖 Bobbio Scriptorium
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Converging towards the optimal path to extinction

✍ Scribed by Schwartz, I. B.; Forgoston, E.; Bianco, S.; Shaw, L. B.


Book ID
111906721
Publisher
The Royal Society
Year
2011
Tongue
English
Weight
614 KB
Volume
8
Category
Article
ISSN
1742-5689

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Paths to which the nudged elastic band c
✍ Daniel Sheppard; Graeme Henkelman πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 149 KB

## Abstract A recent letter to the editor (Quapp and Bofill, J Comput Chem 2010, 31, 2526) claims that the nudged elastic band (NEB) method can converge toward gradient extremal paths and not to steepest descent paths, as has been assumed. Here, we show that the NEB does in fact converge to steepes