Empathes: A general code for nudged elastic band transition states search.

Marco Bertini Francesco Ferrante Dario Duca

Published in: Comput. Phys. Commun. (2022)

Keyphrases

search algorithm
special case
search space
source code
real time
state transitions
search engine
open source
closely related
search tools
data sets
search strategy
solution space
search queries