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

Marco Krummenacher, Moritz Gubler, Jonas A. Finkler, Hannes Huber, Martin Sommer-Jörgensen, Stefan Goedecker. Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE). SoftwareX, 25:101632, February 2024. [doi]

Abstract

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