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Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE).

Marco KrummenacherMoritz GublerJonas A. FinklerHannes HuberMartin Sommer-JörgensenStefan Goedecker
Published in: SoftwareX (2024)
Keyphrases
  • highly efficient
  • simulation environment
  • low cost
  • simulation model
  • simulation tool
  • real time
  • spatial structure
  • gray code