Updated: Feb 28, 2025
Latest versions
2.2.0 for SAMSON 2024 R1
This extension is a parallel implementation of the nudged elastic band method [1].
Tutorial: Optimize transition paths with the Parallel Nudged Elastic Band method.
[1] Henkelman, Graeme, Blas P. Uberuaga, and Hannes Jónsson. "A climbing image nudged elastic band method for finding saddle points and minimum energy paths." The Journal of Chemical Physics 113.22 (2000): 9901-9904.