How to format your references using the Computational Materials Science citation style

This is a short guide how to format citations and the bibliography in a manuscript for Computational Materials Science. For a complete guide how to prepare your manuscript refer to the journal's instructions to authors.

Using reference management software

Typically you don't format your citations and bibliography by hand. The easiest way is to use a reference manager:

PaperpileThe citation style is built in and you can choose it in Settings > Citation Style or Paperpile > Citation Style in Google Docs.
EndNoteFind the style here: output styles overview
Mendeley, Zotero, Papers, and othersThe style is either built in or you can download a CSL file that is supported by most references management programs.
BibTeXBibTeX syles are usually part of a LaTeX template. Check the instructions to authors if the publisher offers a LaTeX template for this journal.

Journal articles

Those examples are references to articles in scholarly journals and how they are supposed to appear in your bibliography.

Not all journals organize their published articles in volumes and issues, so these fields are optional. Some electronic journals do not provide a page range, but instead list an article identifier. In a case like this it's safe to use the article identifier instead of the page range.

A journal article with 1 author
J.S. Sandidge, Arachnology: scavenging by brown recluse spiders, Nature. 426 (2003) 30.
A journal article with 2 authors
S. Jain, F.S. Bates, On the origins of morphological complexity in block copolymer surfactants, Science. 300 (2003) 460–464.
A journal article with 3 authors
C.J. Ammon, H. Kanamori, T. Lay, A great earthquake doublet and seismic stress transfer cycle in the central Kuril islands, Nature. 451 (2008) 561–565.
A journal article with 4 or more authors
S. Shahid, G. Kim, N.R. Johnson, E. Wafula, F. Wang, C. Coruh, V. Bernal-Galeano, T. Phifer, C.W. dePamphilis, J.H. Westwood, M.J. Axtell, MicroRNAs from the parasitic plant Cuscuta campestris target host messenger RNAs, Nature. 553 (2018) 82–85.

Books and book chapters

Here are examples of references for authored and edited books as well as book chapters.

An authored book
H. Goering, H.-G. Roos, L. Tobiska, Die Finite-Elemente-Methode für Anfänger, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, 2010.
An edited book
O. Scherzer, Variational Methods in Imaging, Springer, New York, NY, 2009.
A chapter in an edited book
M. Valcke, “Evidence-Based Teaching, Evidence-Based Teacher Education” (Quality of Teachers and Quality of Teacher Education), in: X. Zhu, K. Zeichner (Eds.), Preparing Teachers for the 21st Century, Springer, Berlin, Heidelberg, 2013: pp. 53–66.

Web sites

Sometimes references to web sites should appear directly in the text rather than in the bibliography. Refer to the Instructions to authors for Computational Materials Science.

Blog post
E. Andrew, Do Common Chemicals Increase Your Risk of Cancer?, IFLScience. (2015). (accessed October 30, 2018).


This example shows the general structure used for government reports, technical reports, and scientific reports. If you can't locate the report number then it might be better to cite the report as a book. For reports it is usually not individual people that are credited as authors, but a governmental department or agency like "U. S. Food and Drug Administration" or "National Cancer Institute".

Government report
Government Accountability Office, Aviation Safety: Undeclared Air Shipments of Dangerous Goods and DOT’s Enforcement Approach, U.S. Government Printing Office, Washington, DC, 2003.

Theses and dissertations

Theses including Ph.D. dissertations, Master's theses or Bachelor theses follow the basic format outlined below.

Doctoral dissertation
K.M. Crowley, Dynamics of Creativity: A Study of Early Drug Discovery Scientists’ Experience of Creativity, Doctoral dissertation, George Washington University, 2019.

News paper articles

Unlike scholarly journals, news papers do not usually have a volume and issue number. Instead, the full date and page number is required for a correct reference.

New York Times article
G. Vecsey, Auburn vs. Oregon: Headsets at 20 Paces, New York Times. (2011) SP6.

In-text citations

References should be cited in the text by sequential numbers in square brackets:

This sentence cites one reference [1].
This sentence cites two references [1,2].
This sentence cites four references [1–4].

About the journal

Full journal titleComputational Materials Science
AbbreviationComput. Mater. Sci.
ISSN (print)0927-0256
ScopeGeneral Chemistry
General Computer Science
Mechanics of Materials
General Materials Science
Computational Mathematics
General Physics and Astronomy

Other styles