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Journal of Physics Condensed Matter· 2017Q2

The atomic simulation environment—a Python library for working with atoms

Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist, Ivano E. Castelli et al.

Short summary

The Atomic Simulation Environment (ASE) is a Python library that streamlines setting up, controlling, and analyzing atomistic simulations.

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Field: Materials Chemistry

Materials ChemistryMaterials Science