Sign in

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

Marco BertiniFrancesco FerranteDario 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