The instructions below are specifically directed at authors that wish to submit a manuscript to Molecular Simulation. For general information, please visit the Publish With Us section of our website. We also have an official Authors' Charter to outline the standards that authors can expect when they publish with us.

Molecular Simulation considers all manuscripts on the strict condition that they have been submitted only to Molecular Simulation, that they have not been published already, nor are they under consideration for publication or in press elsewhere. Authors who fail to adhere to this condition will be charged with all costs which Molecular Simulation incurs and their papers will not be published.

Contributions to Molecular Simulation must review published original research and will be subjected to review by referees at the discretion of the Editorial Office.


Manuscript Preparation

1. General guidelines

• Papers are accepted only in English. British-English spelling and punctuation is preferred.
• Manuscripts should be compiled in the following order: title page; abstract; keywords; main text; acknowledgments; appendices (as appropriate); references; table(s) with caption(s) (on individual pages); figure caption(s) (as a list). A word count should be included and authors should indicate if the paper is for a special issue.
• Abstracts of no more than 100-200 words are required for all papers submitted.
• Each paper should have 3-5 keywords.
• Section headings should be concise and numbered sequentially, using a decimal system for subsections.
• One author should be identified as the Corresponding Author and should include his/her full name, affiliation, postal address, telephone and fax number and email address on the cover page of the manuscript. All other authors should provide full names, affiliations and email addresses.
• Biographical notes on contributors are not required for this journal.
• For all manuscripts non-discriminatory language is mandatory. Sexist or racist terms should not be used.
• Authors must adhere to SI units. Units are not italicised.
• When using a word which is or is asserted to be a proprietary term or trade mark, authors must use the symbol ® or ™.

Preliminary Communications: To facilitate the quick reporting of significant but preliminary results, short contributions may be accepted which contain less detail than full papers. These will be labelled `Preliminary Communications' and restricted to no more than five printed pages, to include all figures and references. The abstract should contain less than 150 words and no appendices will be accepted. To ensure rapid publication, proofs of Preliminary Communications will be corrected by the editor.

Notes: Where a result is complete, but does not warrant a full paper nor constitute a Preliminary Communication, it may be published as a Note. Any Note will be without abstract or appendices, but will include key words. Notes should not exceed 2 printed pages (approximately 900 words) in length.


2. Style guidelines

• Description of the Journal's article style
• Description of the Journal's reference styles.
• LaTeX template (Please save the LaTeX template to your hard drive and open it for use by clicking on the icon in Windows Explorer)
• Authors who wish to prepare their article using the LaTeX document preparation system are advised to download the relevant LaTeX style guide and Class file via the link provided above in this section. We request that authors using LaTeX also send a PDF file along with the source file.

• Word templates

  Word templates are available for this journal.
  Please open and read the instruction document first, as this will explain how to save and then use the template.

  Select the template that is most suitable for your operating system.

  http://www.tandf.co.uk/journals/authors/template/TF_Template_Word_XP_2003_instructions.pdf
  http://www.tandf.co.uk/journals/authors/template/TF_Template_Word_XP_2003.dot

  http://www.tandf.co.uk/journals/authors/template/TF_Template_Word_XP_2007_instructions.pdf
  http://www.tandf.co.uk/journals/authors/template/TF_Template_Word_XP_2007.dotx

  http://www.tandf.co.uk/journals/authors/template/TF_Template_Word_Mac_2004_instructions.pdf
  http://www.tandf.co.uk/journals/authors/template/TF_Template_Word_Mac_2004.dot

  http://www.tandf.co.uk/journals/authors/template/TF_Template_Word_Mac_2008_instructions.pdf
  http://www.tandf.co.uk/journals/authors/template/TF_Template_Word_Mac_2008.dot

  If you are not able to use the template via the links or if you have any other template queries, please contact authortemplate@tandf.co.uk

A fully completed CIF (Crystallographic Information File) should be deposited with the CCDC (send files as attachments to deposit@ccdc.cam.ac.uk) and the returned deposition number quoted in the experimental section of the manuscript.

Specific Crystallographic Instructions for Authors.

3. Figures

• It is in the author's interest to provide the highest quality figure format possible. Please be sure that all imported scanned material is scanned at the appropriate resolution: 1200 dpi for line art, 600 dpi for grayscale and 300 dpi for colour.
• Figures must be saved separate to text. Please do not embed figures in the paper file.
• Files should be saved as one of the following formats: TIFF (tagged image file format), PostScript or EPS (encapsulated PostScript), and should contain all the necessary font information and the source file of the application (e.g. CorelDraw/Mac, CorelDraw/PC).
• All figures must be numbered in the order in which they appear in the paper (e.g. Figure 1, Figure 2). In multi-part figures, each part should be labelled (e.g. Figure 1(a), Figure 1(b)).
• Figure captions must be saved separately, as part of the file containing the complete text of the paper, and numbered correspondingly.
• Figures should be produced as near to the finished size as possible.
• The filename for a graphic should be descriptive of the graphic, e.g. Figure1, Figure2a.

4. Colour

There are a limited number of colour pages within the annual page allowance. Authors should restrict their use of colour to situations where it is necessary on scientific, and not merely cosmetic, grounds. Authors of accepted papers who propose publishing figures in colour in the print version should consult Taylor & Francis at proof stage to agree on an appropriate number of colour pages. If the colour page budget is exceeded, authors will be given the option to provide a financial contribution to additional colour reproduction costs. Figures that appear in black-and-white in the print edition of the Journal will appear in colour in the online edition, assuming colour originals are supplied.


5. Reproduction of copyright material

Contributors are required to secure permission for the reproduction of any figure, table or extensive extract (more than fifty words) from the text of a source that is copyrighted or owned by a party other than Taylor & Francis or the contributor. This applies to direct reproduction as well as ‘derivative reproduction', where the contributor has created a new figure or table that derives substantially from a copyrighted source. Authors are themselves responsible for the payment of any permission fees required by the copyright owner. Copies of permission letters should be sent with the manuscript upon submission to the Editor(s).

• Copyright permission letter template

6. Supplementary online material

Authors are welcome to submit animations, movie files, sound files or any additional information for online publication.

• Information about supplementary online material

Manuscript submission

All submissions should be made online at the Molecular Simulation Manuscript Central site. New users should first create an account. Once logged on to the site, submissions should be made via the Author Centre. Online user guides and access to a helpdesk are available on this website.

Papers will then be considered by the Editor-in-Chief:

Prof. N. Quirke, Department of Chemistry, Imperial College, London SW7 2AZ, UK. Email: n.quirke@imperial.ac.uk.

or one of the Regional Editors:

Dr Jerome Delhommelle, Department of Chemistry, University of North Dakota, 151 Cornell Street Stop 9024, Grand Forks ND 58202, United States. E-mail address: jdelhommelle@chem.und.edu. 

Dr Robert Rudd - Lawrence Livermore National Laboratory, 7000 East Ave., L-045, Livermore, CA 94550, USA

Professor A. Fuchs, Université de Paris Sud, Laboratoire de Chemie Physique des Materiaux Amorphes, CNRS, Bâtiment 490, F-91405 Orsay Cedex, France

Professor Wenchun Wang, College of Chemical Engineering, Beijing University of Chemical Technology, 15 Beisanhuandoglu, Beijing 100029, China
 
Professor Suresh Bhatia, School of Chemical Engineering, University of Queensland, Brisbane, QLD 4072, Australia

Submissions should be created using a standard word processing program, such as MSWORD or PDF.

Manuscripts may be submitted in any standard format, including Word, PostScript and PDF. These files will be automatically converted into a PDF file for the review process. LaTeX files should be converted to PDF prior to submission because Manuscript Central is not able to convert LaTeX files into PDFs directly. This journal does not accept Microsoft Word 2007 documents. Please use Word's "Save As" option to save your document as an older (.doc) file type.

Copyright and authors' rights

It is a condition of publication that authors assign copyright or license the publication rights in their articles, including abstracts, to Taylor & Francis. This enables us to ensure full copyright protection and to disseminate the article, and of course the Journal, to the widest possible readership in print and electronic formats as appropriate. Authors retain many rights under the Taylor & Francis rights policies, which can be found at www.informaworld.com/authors_journals_copyright_position. Authors are themselves responsible for obtaining permission to reproduce copyright material from other sources.

Exceptions are made for authors of Crown or US Government employees whose policies require that copyright cannot be transferred to other parties. We ask that a signed statement to this effect is submitted when returning proofs for accepted papers.

• Further details and FAQs on Taylor & Francis's policy on copyright and authors' rights
  

Reprints

Corresponding authors will receive free online access to their article through our website (www.informaworld.com). Reprints of articles published in this journal can be purchased through Rightslink® when proofs are received. If you have any queries, please contact our reprints department at reprints@tandf.co.uk

Page charges

There are no page charges to individuals or institutions.

iOpenAccess

Authors whose manuscripts have been accepted for publication have the option to pay a one-off fee of US$3250 to make their article free to read online ie “Open access” via the Molecular Simulation website. Choosing this option also allows authors to post their article in an institutional or subject repository immediately upon publication.

• Further details on iOpenAccess