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P-NEB

Publisher: OneAngstrom

Updated: August 28, 2019


Latest versions

Windows: 0.8.2 on SAMSON 0.8.5

Linux: 0.8.2 on SAMSON 0.8.5

Mac: 0.8.2 on SAMSON 0.8.5

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Monthly plans

Academic
9,90 € / mo
Commercial
24,90 € / mo

Yearly plans

Academic
99,00 € / year
Commercial
249,00 € / year

P-NEB

Publisher: OneAngstrom

Updated: August 28, 2019


Latest versions:

- Windows: 0.8.2 on SAMSON 0.8.5

- Linux: 0.8.2 on SAMSON 0.8.5

- Mac: 0.8.2 on SAMSON 0.8.5

Use a parallel implementation of the nudged elastic band (NEB) method to find saddle points and minimum-energy paths.

This app is a parallel implementation of the nudged elastic band method. The implementation is based on the paper by Henkelman et al. (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.)