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This tutorial provides an overview of using the NOMAD software, with a focus on support for classical molecular simulations. NOMAD is a free open-source data management platform for Materials Science which follows the F.A.I.R. (Findable, Accessible, Interoperable, and Reusable) principles 12, and is developed primarily by the FAIRmat consortium.

This tutorial was created by the FAIRmat Area C (computation) team:

Dr. Nathan Daelman, - contact for electronic structure calculations

Dr. José M. Pizarro, - contact for excited state calculations

Dr. Joseph F. Rudzinski, - general contact, contact for molecular simulations

  1. Mark D. Wilkinson et al. The fair guiding principles for scientific data management and stewardship. Scientific Data, 3(1):160018, Mar 2016. URL:, doi:10.1038/sdata.2016.18

  2. GO FAIR: FAIR principles. URL: