The Journal of Chemical Physics· 2012Q1

A generalized solid-state nudged elastic band method

Daniel Sheppard, Penghao Xiao, William D. Chemelewski, D. D. Johnson et al.

1,151citations
Q1SCImago
2012year

Short summary

A new generalized solid-state nudged elastic band (G-SSNEB) method is introduced to map reaction pathways for solid-solid transformations, unifying atomic and unit-cell movements.

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Field: Mechanics of Materials

Mechanics of MaterialsEngineering