Journal profile · Physics, Atomic, Molecular & Chemical
Molecular Simulation
ISSN 0892-7022 · eISSN 1029-0435 · Taylor and Francis Ltd. · ENGLAND · Monthly · Founded 1987
Molecular Simulation: CAS Zone 4 · Chemistry (2025 upgraded edition); impact factor 2.06; subscription journal; APC charged, amount not published; median 109 days to acceptance (94 articles, last 24 months); community-reported acceptance: easy; 85 articles in 2025; indexed in SCIE and Scopus.
Scope
Aims, scope and focus
Molecular Simulation is published by Taylor and Francis Ltd. and is in Zone 4 of Chemistry in the CAS Journal Ranking (2025 upgraded edition). By OpenAlex counts of its recent articles, its largest topics are Phase Equilibria and Thermodynamics, Material Dynamics and Properties and Spectroscopy and Quantum Chemical Studies, together about 28.7% of its articles. (generated from OpenAlex topic counts and CAS ranking data)
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/
From the journal's Aims & Scope
Research area (LetPub): Physics, Atomic, Molecular & Chemical
Editor-in-chief Nick QuirkePublisher website
Main research topics OpenAlex counts of recent articles; shares are approximate
- Phase Equilibria and ThermodynamicsEngineering10.1%
- Material Dynamics and PropertiesMaterials Science9.4%
- Spectroscopy and Quantum Chemical StudiesPhysics and Astronomy9.3%
- Protein Structure and DynamicsBiochemistry, Genetics and Molecular Biology7.9%
- Advanced Chemical Physics StudiesPhysics and Astronomy6.7%
- Theoretical and Computational PhysicsPhysics and Astronomy4.4%
- Graphene research and applicationsMaterials Science4.2%
- Nanopore and Nanochannel Transport StudiesEngineering3.9%
Rankings & indexing
CAS ranking and database indexing
CAS Journal Ranking
CAS Journal Ranking, upgraded edition (March 2025)Chemistry Zone 4
| Level | Category | Zone |
|---|---|---|
| Major | Chemistry | Zone 4 |
| Minor | Chemistry, Physical | Zone 4 |
| Minor | Physics, Atomic, Molecular & Chemical | Zone 4 |
Top journal: noReview journal: no
CAS Xinrui Journal Ranking (March 2026)Chemistry Zone 4
| Level | Category | Zone |
|---|---|---|
| Major | Chemistry | Zone 4 |
| Minor | Chemistry, Physical | Zone 4 |
| Minor | Physics, Atomic, Molecular & Chemical | Zone 4 |
Top journal: noReview journal: not marked
CAS Journal Ranking, previous upgraded edition (December 2023)Chemistry Zone 4
| Level | Category | Zone |
|---|---|---|
| Major | Chemistry | Zone 4 |
| Minor | Chemistry, Physical | Zone 4 |
| Minor | Physics, Atomic, Molecular & Chemical | Zone 4 |
Top journal: noReview journal: no
JCR / CiteScore quartiles on the journal's website
- CiteScore Q2 · 2025
Publisher-reported: JCR figures are Clarivate's and CiteScore figures Scopus's to confirm; both are a different system from the CAS zones.Publisher website
Database indexing
SCIEScopusLetPub
International journal early-warning lists: not listed in any editionLetPub
Indexing the journal's website claims
EI CompendexCASCurrent ContentsPublisher website
Other: Google Scholar, ProQuest, The Polymer Library
As the journal's website lists them, not checked against each database; for Web of Science editions the records above apply.
Editions, and major and minor categories, are shown separately and never merged into one zone; check which edition your institution uses before you submit or report.
Metrics
Impact metrics and publication volume
Impact
- Impact factor
- 2.06LetPub ·
- Impact factor (publisher) 2025
- 2.1Publisher website ·
- 5-year impact factor (publisher) 2025
- 2.3Publisher website ·
- CiteScore 2026-06
- 4.1LetPub ·
- CiteScore (publisher) 2025
- 4.1Publisher website ·
- SJR 2026-06
- 0.3LetPub ·
- SJR (publisher) 2025
- 0.3Publisher website ·
- SNIP 2026-06
- 0.54LetPub ·
- SNIP (publisher) 2025
- 0.54Publisher website ·
- h-index
- 50LetPub ·
- h-index
- 95OpenAlex ·
- i10-index
- 1,683OpenAlex ·
- 2-year mean citedness
- 2.2OpenAlex ·
- Self-citation rate
- 0%LetPub ·
- Share of gold OA articles
- 2.46%LetPub ·
Volume
- Articles per year
- 85LetPub ·
- Downloads per year (publisher)
- 150,000Publisher website ·
Articles by year OpenAlex count · 4,251 in total · the current year is incomplete
| Year | Articles | Open access | Citations |
|---|---|---|---|
| 2026 | 92 | 7 | 18 |
| 2025 | 85 | 10 | 119 |
| 2024 | 112 | 5 | 499 |
| 2023 | 129 | 26 | 835 |
| 2022 | 143 | 19 | 1,360 |
| 2021 | 146 | 50 | 1,399 |
Sources count differently and were observed at different times, so each source's own value is kept; "publisher" marks figures from the journal's website.
Review & acceptance
Review time and acceptance
Review time from article dates manuscript dates registered with Crossref · to
109 daysMedian, submission to acceptance · P25–P75 79 days – 196 days
- Acceptance to online
- median 17 days (94 articles)
- Submission to online
- median 133 days
- Sample
- 94 articles with submission and acceptance dates (201 in the window); the latest was accepted on
Only articles that were accepted and published are counted, not the time spent on rejected manuscripts, so this usually runs longer than a publisher's "time to first decision".
Other sources
- Average review time (community reports)
- about 3 monthsLetPub ·
- Average acceptance (community reports)
- EasyLetPub ·
- Acceptance rate (publisher)
- 16%Publisher website ·
- Submission to first decision
- 8 daysPublisher website ·
- First decision after review
- 53 daysPublisher website ·
- Acceptance to publication
- 19 daysPublisher website ·
- Peer review
- Single anonymous peer reviewPublisher website
Community reports come from authors' own submissions (confidence 0.5) and are not a promise from the journal; for publisher figures, the journal's own definitions apply.
Fees & open access
APC and open-access policy
Subscription journalLetPub
A subscription journal: articles are read by subscription or purchase, and authors usually pay no publication charge.
| Source | APC | Fee waiver | License | Observed |
|---|---|---|---|---|
| Publisher website | Yes, amount not published | — | — |
The journal's website is authoritative for fees; sources were observed at different times and each keeps its own value, without averaging.
Submission
Article types and submission policies (journal website)
Policy excerpts from the journal's websiteOpen access
- Open access Open access
Molecular Simulation is a hybrid open access journal that is part of the Taylor & Francis 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? Increase the discoverability and re…
Source ↗Publisher website ·
Excerpts are quoted from the journal's website; "model summary" lines are written by Workers AI and checked against the text. The journal's website is authoritative.
Profile
Publication details and official links
- Publisher
- Taylor and Francis Ltd.
- Country or region
- ENGLAND
- Language
- Multi-Language
- Frequency
- Monthly
- Founded
- 1987
- ISSN
- 0892-7022
- Electronic ISSN
- 1029-0435
- Latest issue on the website
- Volume 52, Issue 14 (2026)
- Official links
- Journal homepage ↗OpenAlex
- Submission system ↗Publisher website
- Special issues ↗Publisher website
FAQ
Frequently asked questions about Molecular Simulation
What CAS zone is Molecular Simulation in?
In the 2025 upgraded edition of the CAS Journal Ranking, Molecular Simulation is in Zone 4 of Chemistry, and in Zone 4 of the minor category Chemistry, Physical / Physics, Atomic, Molecular & Chemical. In the 2026 Xinrui edition it is in Zone 4 of Chemistry. Zones from different editions, and from major and minor categories, are not interchangeable.
What is the impact factor of Molecular Simulation?
The latest impact factor listed by LetPub is 2.06; CiteScore 4.1, h-index 95.
How long does peer review take at Molecular Simulation?
Based on the dates recorded on 94 articles published between October 2024 and October 2026 (the last 24 months), the median time from submission to acceptance is 109 days (interquartile range 79–196 days); authors report an average review time of about 3 months; the community-reported acceptance is “Easy”; the journal's website gives an acceptance rate of 16%. Article statistics cover accepted papers only, publisher figures follow the journal's own definitions, and community reports come from authors' own submissions; none is a promise from the journal.
Which databases index Molecular Simulation?
According to LetPub and DOAJ records, Molecular Simulation is indexed in SCIE and Scopus. The journal's website also lists EI Compendex, CAS and Current Contents; that list has not been checked against each database.
Is Molecular Simulation open access, and what is the APC?
Molecular Simulation is a subscription journal. APC charged, amount not published.
Sources and updates
The facts on this page come from LetPub, Publisher website, OpenAlex; every figure is tagged with its source and the date it was observed, and conflicting values are kept per source. LetPub source page: view ↗ (archived 2026-08-24). Last updated: .