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NOMAD Simulations

Authors: Pizarro, José M.; Boydas, Esma B.; Daelman, Nathan; Ladines, Alvin Noe; Mohr, Bernadette; Rudzinski, Joseph F.;

NOMAD Simulations

Abstract

`nomad-simulations` is a plugin for the NOMAD software (https://zenodo.org/doi/10.5281/zenodo.8366162) providing a common data standard and analysis tools for parsed Materials Science and Quantum Chemistry simulations. This standard is used as a template and is populated by the many available NOMAD parsers to transform their inputs / outputs into a structured data format. This plugin is community-driven, and users are encourage to contribute towards providing Findable, Accessible, Interoperable, and Reusable (FAIR) data.

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