About this journal

Aims and scope

An international, multidisciplinary, academic journal, Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation.

Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics.

The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged.

Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.

All manuscript submissions are subject to initial appraisal by the Editor, and, if found suitable for further consideration, to peer review by independent, anonymous expert referees. All peer review is single anonymized and submission is online via ScholarOne Manuscripts.

Peer Review Policy

All submitted manuscripts are subject to initial appraisal by the Editor. If found suitable for further consideration, papers are subject to peer review by independent, anonymous expert referees. All peer review is single anonymized.

Publishing Ethics

The Journal adheres to the highest standards of publishing ethics, with rigorous processes in place to ensure this is achieved. Taylor & Francis is a member of Committee on Publication Ethics (COPE) and utilises CrossCheck for all Journals. More information on our ethical standards and policies can be found here: http://authorservices.taylorandfrancis.com/ethics-for-authors/

Journal metrics

Usage

  • 139K annual downloads/views

Citation metrics

  • 1.9 (2023) Impact Factor
  • 2.1 (2023) 5 year IF
  • 3.8 (2023) CiteScore (Scopus)
  • Q2 CiteScore Best Quartile
  • 0.583 (2023) SNIP
  • 0.343 (2023) SJR

Speed/acceptance

  • 5 days avg. from submission to first decision
  • 47 days avg. from submission to first post-review decision
  • 14 days avg. from acceptance to online publication
  • 21% acceptance rate

Editorial board

Editor in Chief:
Nick Quirke
- Department of Chemistry, Imperial College, Molecular Sciences Research Hub, London, W12 OBZ

Regional Editors:
Daojian Cheng
- Beijing University of Chemical Technology, China
Jerome Delhommelle - Department of Chemistry, University of Massachusetts Lowell, USA
Neha S. GandhiManipal Institute of Technology, Manipal Academy of Higher Education, India
Miguel Jorge
- Chemical and Process Engineering, University of Strathclyde, UK
Yuko Okamoto - Department of Physics, Nagoya University, Japan

Editorial Board Members:
Suresh Bhatia - University of Queensland, Australia
Fernando Bresme - Imperial College London, United Kingdom
C.R.A. Catlow - The Royal Institution of Great Britain, UK
Kwong-Yu Chan - University of Hong Kong, Hong Kong
P. Clancy - Cornell University, USA
David F. Coker - Metcalf Center for Science and Engineering, USA
Peter T. Cummings - Vanderbilt University, USA
D.J. Evans - Australian National University, Australia
K.E. Gubbins - North Carolina State University, USA
Wilfred F. Van Gunsteren - ETH-Zürich, Switzerland
Yi He - Zhejiang University, China
Hendrik Heinz - University of Colorado-Boulder, USA
Wenbing Hu - Nanjing University, China
Liangliang Huang - University of Oklahoma, USA
Jun Li - Tsinghua University, China
Nobuyuki Matsubayasi - Osaka University, Japan
J. Andrew McCammon - University of California at San Diego, USA
Marc Meunier - Materials Science Accerlys, Cambridge, UK
R. Pellenq - Massachusetts Institute of Technology, USA
B. M. Pettitt - University of Houston, USA
Lev Sarkisov - University of Edinburgh, UK
Soong-Hyuck Suh - Keimyung University, South Korea
Huai Sun- Shanghai Jiao Tong University, China
M. Tanaka - Tohoku University, Japan
Dongqing Wei - Shanghai Jiaotong University, China
Kenji Yasuoka - Keio University, Japan
Jijun Zhao - Dalian University of Technology, China
Shuangliang Zhao - East China University of Science and Technology, China

Abstracting and indexing

Molecular Simulation is indexed in: Chemical Abstracts Service; ISI Current Contents - Physical, Chemical & Earth Sciences; Ei Compendex; Google Scholar; ProQuest; Science Citation Index; Science Citation Index Expanded; Scopus and The Polymer Library.

Open access

Molecular Simulation is a hybrid open access journal that is part of our Open Select publishing program, giving you the option to publish open access. Publishing open access means that your article will be free to access online immediately on publication, increasing the visibility, readership, and impact of your research.

Why choose open access?

  1. Increase the discoverability and readership of your article
  2. Make an impact and reach new readers, not just those with easy access to a research library
  3. Freely share your work with anyone, anywhere
  4. Comply with funding mandates and meet the requirements of your institution, employer or funder
  5. Rigorous peer review for every open access article

Article Publishing Charges (APC)

If you choose to publish open access in this journal you may be asked to pay an Article Publishing Charge (APC). You may be able to publish your article at no cost to yourself or with a reduced APC if your institution or research funder has an open access agreement or membership with Taylor & Francis.

Use our APC finder to calculate your article publishing charge

Advertising information

Would you like to advertise in Molecular Simulation?

Reach an engaged target audience and position your brand alongside authoritative peer-reviewed research by advertising in Molecular Simulation.

Explore advertising solutions

Taylor & Francis make every effort to ensure the accuracy of all the information (the "Content") contained in our publications. However, Taylor & Francis, our agents (including the editor, any member of the editorial team or editorial board, and any guest editors), and our licensors, make no representations or warranties whatsoever as to the accuracy, completeness, or suitability for any purpose of the Content. Any opinions and views expressed in this publication are the opinions and views of the authors, and are not the views of or endorsed by Taylor & Francis. The accuracy of the Content should not be relied upon and should be independently verified with primary sources of information. Taylor & Francis shall not be liable for any losses, actions, claims, proceedings, demands, costs, expenses, damages, and other liabilities whatsoever or howsoever caused arising directly or indirectly in connection with, in relation to, or arising out of the use of the Content. Terms & Conditions of access and use can be found at http://www.tandfonline.com/page/terms-and-conditions .

Ready to submit?

Start a new submission or continue a submission in progress

Go to submission site (link opens in a new window) Instructions for authors