added cff file for Zenodo publishing

CITATION.cff

@@ -0,0 +1,36 @@
+cff-version: 1.2.0
+title: NOMAD Simulations
+message: >-
+  If you use this software, please cite it using the
+  metadata from this file.
+type: software
+authors:
+  - given-names: José M.
+    family-names: Pizarro
+    orcid: 'https://orcid.org/0000-0002-6751-8192'
+  - given-names: Esma B.
+    family-names: Boydas
+    orcid: 'https://orcid.org/0009-0005-6729-4706'
+  - given-names: Nathan
+    family-names: Daelman
+    orcid: 'https://orcid.org/0000-0002-7647-1816'
+  - given-names: Alvin Noe
+    family-names: Ladines
+    orcid: 'https://orcid.org/0000-0003-0077-2097'
+  - given-names: Bernadette
+    family-names: Mohr
+    orcid: 'https://orcid.org/0000-0003-0903-0073'
+  - given-names: Joseph F.
+    family-names: Rudzinski
+    orcid: 'https://orcid.org/0000-0003-3403-640X'
+doi:
+repository-code: 'https://github.com/nomad-coe/nomad-simulations'
+url: 'https://nomad-coe.github.io/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.
+
+license: Apache-2.0

README.md

@@ -2,6 +2,7 @@
 ![](https://coveralls.io/repos/github/nomad-coe/nomad-simulations/badge.svg?branch=develop)
 ![](https://img.shields.io/pypi/v/nomad-simulations)
 ![](https://img.shields.io/pypi/pyversions/nomad-simulations)
+[![DOI](https://zenodo.org/badge/744481756.svg)](https://zenodo.org/badge/latestdoi/744481756)
 
 
 
@@ -160,6 +161,9 @@ plugins:
 **Note!**
 Once you modify your `nomad.yaml` file adding `include`, all the default plugins will be disconnected, so you will need to include them as well.
 
+## How to cite this work
+NOMAD Simulations, José M. Pizarro, Esma B. Boydas, Nathan Daelman, Alvin Noe Ladines,
+Bernadette Mohr, and Joseph F. https://doi.org/`<zenodo_doi>`
 
 ## Main contributors
 | Name | E-mail     | Topics | Github profiles |