diff --git a/CITATION b/CITATION
deleted file mode 100644
index 8fb448ca1e..0000000000
--- a/CITATION
+++ /dev/null
@@ -1,6 +0,0 @@
-Citing MDANSE
-
-MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations.
-G. Goret, B. Aoun, E. Pellegrini. J Chem Inf Model. (2017) 57(1):1-5.
-
-
diff --git a/CITATION.cff b/CITATION.cff
new file mode 100644
index 0000000000..57fc5e80d9
--- /dev/null
+++ b/CITATION.cff
@@ -0,0 +1,51 @@
+cff-version: 1.2.0
+title: MDANSE
+type: software
+abstract: >-
+  MDANSE Core package - Molecular Dynamics trajectory
+  handling and analysis code.
+message: >-
+  If you have used MDANSE in your research, please cite both the MDANSE software itself,
+  and the article from preferred-citation.
+authors:
+  - given-names: Maciej
+    family-names: Bartkowiak
+    email: maciej.bartkowiak@stfc.ac.uk
+    affiliation: STFC
+  - given-names: Chi Y.
+    family-names: Cheng
+    email: chi.cheng@stfc.ac.uk
+    affiliation: STFC
+  - given-names: Jacob
+    family-names: Wilkins
+    email: jacob.wilkins@stfc.ac.uk
+    affiliation: STFC
+  - given-names: Sanghamitra
+    family-names: Mukhopadhyay
+    email: sanghamitra.mukhopadhyay@stfc.ac.uk
+    affiliation: STFC
+repository-code: 'https://github.com/ISISNeutronMuon/MDANSE'
+url: 'https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx'
+keywords:
+  - molecular dynamics
+  - science
+  - simulation
+  - analysis
+license: GPL-3.0
+version: 2.0.0b3
+preferred-citation:
+  type: article
+  authors:
+    - family-names: Goret
+      given-names: G.
+    - family-names: Aoun
+      given-names: B.
+    - family-names: Pellegrini
+      given-names: E.
+  title: "MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations"
+  doi: 10.1021/acs.jcim.6b00571
+  journal: "J Chem Inf Model"
+  month: 1
+  volume: 57
+  issue: 1
+  year: 2017
diff --git a/MDANSE/CITATION b/MDANSE/CITATION
deleted file mode 100644
index 8fb448ca1e..0000000000
--- a/MDANSE/CITATION
+++ /dev/null
@@ -1,6 +0,0 @@
-Citing MDANSE
-
-MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations.
-G. Goret, B. Aoun, E. Pellegrini. J Chem Inf Model. (2017) 57(1):1-5.
-
-
diff --git a/MDANSE/CITATION.cff b/MDANSE/CITATION.cff
new file mode 100644
index 0000000000..57fc5e80d9
--- /dev/null
+++ b/MDANSE/CITATION.cff
@@ -0,0 +1,51 @@
+cff-version: 1.2.0
+title: MDANSE
+type: software
+abstract: >-
+  MDANSE Core package - Molecular Dynamics trajectory
+  handling and analysis code.
+message: >-
+  If you have used MDANSE in your research, please cite both the MDANSE software itself,
+  and the article from preferred-citation.
+authors:
+  - given-names: Maciej
+    family-names: Bartkowiak
+    email: maciej.bartkowiak@stfc.ac.uk
+    affiliation: STFC
+  - given-names: Chi Y.
+    family-names: Cheng
+    email: chi.cheng@stfc.ac.uk
+    affiliation: STFC
+  - given-names: Jacob
+    family-names: Wilkins
+    email: jacob.wilkins@stfc.ac.uk
+    affiliation: STFC
+  - given-names: Sanghamitra
+    family-names: Mukhopadhyay
+    email: sanghamitra.mukhopadhyay@stfc.ac.uk
+    affiliation: STFC
+repository-code: 'https://github.com/ISISNeutronMuon/MDANSE'
+url: 'https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx'
+keywords:
+  - molecular dynamics
+  - science
+  - simulation
+  - analysis
+license: GPL-3.0
+version: 2.0.0b3
+preferred-citation:
+  type: article
+  authors:
+    - family-names: Goret
+      given-names: G.
+    - family-names: Aoun
+      given-names: B.
+    - family-names: Pellegrini
+      given-names: E.
+  title: "MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations"
+  doi: 10.1021/acs.jcim.6b00571
+  journal: "J Chem Inf Model"
+  month: 1
+  volume: 57
+  issue: 1
+  year: 2017
diff --git a/MDANSE_GUI/CITATION b/MDANSE_GUI/CITATION
deleted file mode 100644
index 8fb448ca1e..0000000000
--- a/MDANSE_GUI/CITATION
+++ /dev/null
@@ -1,6 +0,0 @@
-Citing MDANSE
-
-MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations.
-G. Goret, B. Aoun, E. Pellegrini. J Chem Inf Model. (2017) 57(1):1-5.
-
-
diff --git a/MDANSE_GUI/CITATION.cff b/MDANSE_GUI/CITATION.cff
new file mode 100644
index 0000000000..57fc5e80d9
--- /dev/null
+++ b/MDANSE_GUI/CITATION.cff
@@ -0,0 +1,51 @@
+cff-version: 1.2.0
+title: MDANSE
+type: software
+abstract: >-
+  MDANSE Core package - Molecular Dynamics trajectory
+  handling and analysis code.
+message: >-
+  If you have used MDANSE in your research, please cite both the MDANSE software itself,
+  and the article from preferred-citation.
+authors:
+  - given-names: Maciej
+    family-names: Bartkowiak
+    email: maciej.bartkowiak@stfc.ac.uk
+    affiliation: STFC
+  - given-names: Chi Y.
+    family-names: Cheng
+    email: chi.cheng@stfc.ac.uk
+    affiliation: STFC
+  - given-names: Jacob
+    family-names: Wilkins
+    email: jacob.wilkins@stfc.ac.uk
+    affiliation: STFC
+  - given-names: Sanghamitra
+    family-names: Mukhopadhyay
+    email: sanghamitra.mukhopadhyay@stfc.ac.uk
+    affiliation: STFC
+repository-code: 'https://github.com/ISISNeutronMuon/MDANSE'
+url: 'https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx'
+keywords:
+  - molecular dynamics
+  - science
+  - simulation
+  - analysis
+license: GPL-3.0
+version: 2.0.0b3
+preferred-citation:
+  type: article
+  authors:
+    - family-names: Goret
+      given-names: G.
+    - family-names: Aoun
+      given-names: B.
+    - family-names: Pellegrini
+      given-names: E.
+  title: "MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations"
+  doi: 10.1021/acs.jcim.6b00571
+  journal: "J Chem Inf Model"
+  month: 1
+  volume: 57
+  issue: 1
+  year: 2017