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Molecular Simulation in Interface and Surfactant—2nd Edition

A special issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: 31 December 2024 | Viewed by 162

Special Issue Editors

School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China
Interests: physical chemistry of surfactant; computer simulation about surface science; molecular simulation on self-assemble system
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Guest Editor
Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China
Interests: molecular simulation on polymer; surfactant; self-assembly
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Special Issue Information

Dear Colleagues,

Molecular simulation is a powerful research method that has achieved great success in the field of colloid and interface chemistry in recent years. It helps us understand the thermodynamics, dynamics, and microlevel structure of colloidal systems and interfacial phenomena.

During the practical application of molecular simulation in this field, many challenging problems have been encountered, including system size, the time scale that molecular simulation can reach, the accuracy of simulation results, etc. Fortunately, many advanced simulation techniques, such as coarse-grained models, enhanced sampling methods, and high-precision molecular force fields have been proposed to address these challenges. It has been over two years since we first launched the Special Issue “Molecular Simulation in Interface and Surfactant”. Significant progress has been made in both molecular simulation and colloid and interface chemistry in this period, so we see this as a great opportunity to launch a second edition.

We welcome research articles and reviews on the application of molecular simulation in the field of colloid and interface chemistry in this Special Issue.

Dr. Heng Zhang
Prof. Dr. Shiling Yuan
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


  • molecular simulation
  • interfaces
  • membranes
  • surfactants
  • colloids

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