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P-NEB

Publisher: OneAngstrom Developer

Updated: August 30, 2021


Latest versions

Windows: 2.0.0 on SAMSON 2.0.0

Linux: 2.0.0 on SAMSON 2.0.0

Mac: 2.0.0 on SAMSON 2.0.0

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P-NEB

Publisher: OneAngstrom Developer

Updated: August 30, 2021


Latest versions:

- Windows: 2.0.0 on SAMSON 2.0.0

- Linux: 2.0.0 on SAMSON 2.0.0

- Mac: 2.0.0 on SAMSON 2.0.0

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.)

P-NEB is an extension for SAMSON,
the integrated platform for molecular design.

To use P-NEB:

1. Create your free account and choose a molecular design plan
2. Download and install SAMSON on your computer
3. Come back to this page to add the extension to your account


When you restart SAMSON, the extension will be automatically installed
and will be usable directly from within SAMSON.