How to format your references using the Molecular Simulation citation style

This is a short guide how to format citations and the bibliography in a manuscript for Molecular Simulation. 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.
EndNoteDownload the output style file
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
Hotamisligil GS. Inflammation and metabolic disorders. Nature. 2006;444:860–867.
A journal article with 2 authors
Losos JB, Schluter D. Analysis of an evolutionary species-area relationship. Nature. 2000;408:847–850.
A journal article with 3 authors
Archibald JD, Averianov AO, Ekdale EG. Late Cretaceous relatives of rabbits, rodents, and other extant eutherian mammals. Nature. 2001;414:62–65.
A journal article with 4 or more authors
Terszowski G, Müller SM, Bleul CC, et al. Evidence for a functional second thymus in mice. Science. 2006;312:284–287.

Books and book chapters

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

An authored book
Bolstad WM, Curran JM. Introduction to Bayesian Statistics, Third Edition. Hoboken, NJ: John Wiley & Sons, Inc.; 2016.
An edited book
Beller M. Transition Metal Catalyzed Carbonylation Reactions: Carbonylative Activation of C-X Bonds. Wu X-F, editor. Berlin, Heidelberg: Springer; 2013.
A chapter in an edited book
Pakarinen MP, Mutanen A. Intestinal Failure-Associated Liver Disease. In: Rintala RJ, Pakarinen M, Wester T, editors. Current Concepts of Intestinal Failure. Cham: Springer International Publishing; 2016. p. 51–61.

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 Molecular Simulation.

Blog post
Carpineti C. Pig Brain Cells Are Being Implanted Into Human Brains To Treat Parkinson’s Disease [Internet]. IFLScience. IFLScience; 2017 [cited 2018 Oct 30]. Available from:


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. Bankruptcy Reform: Value of Credit Counseling Requirement Is Not Clear. Washington, DC: U.S. Government Printing Office; 2007. Report No.: GAO-07-203. .

Theses and dissertations

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

Doctoral dissertation
Wiedeman LD. Acceptance promoting and hindering interactions in integrative behavioral couple therapy [Doctoral dissertation]. [Malibu, CA]: Pepperdine University; 2012.

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
Baker AL, David Goodman J. New York Police to Strictly Track the Use of Force. New York Times. 2015 Oct 1;A1.

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 titleMolecular Simulation
AbbreviationMol. Simul.
ISSN (print)0892-7022
ISSN (online)1029-0435
ScopeGeneral Chemical Engineering
General Chemistry
Information Systems
General Materials Science
Modelling and Simulation
Condensed Matter Physics

Other styles