Research on Polymer Simulation, Modeling and Computation: 2nd Edition

A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Physics and Theory".

Deadline for manuscript submissions: 31 December 2024 | Viewed by 66

Special Issue Editors

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Guest Editor
Department of Physics, Macromolecules Innovation Institute, Center for Soft Matter and Biological Physics, Department of Mechanical Engineering, Virginia Tech, Blacksburg, VA 24061, USA
Interests: polymer informatics; molecular dynamics simulation; polymer physics; polymer nanocomposites
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Guest Editor
School of Emergent Soft Matter, South China University of Technology, Guangzhou 510640, China
Interests: soft matter dynamics; theory and simulation
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Guest Editor
Department of Chemistry and Biochemistry, University of South Carolina, Columbia 29208, USA
Interests: polymer conformation; dynamics; rheology and mechanics; molecular simulations; multi-scale modeling of polymers
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Special Issue Information

Dear Colleagues,

In silico simulation, modeling, and computation have evolved into powerful tools to reveal the molecular mechanisms underlying the macroscopic phenomena and behavior of polymers, predict their physicochemical properties, and discover and design next-generation polymeric materials. A wide range of simulation methods and packages, from those based on quantum mechanics with subatomic resolutions to continuum frameworks dealing with bulk materials, are at the disposal of researchers to study polymers over a full spectrum of length, time, and energy scales under various conditions. Multiscale models are also undergoing rapid development and validation. This Special Issue aims to serve as a platform that allows polymer researchers to exchange exciting results, recent progress, and emerging ideas on understanding polymers from the perspectives of simulation, modeling, and computation. The Special Issue welcomes reports and reviews covering any aspect of polymer modeling, using methods that include, but are not limited to, density functional theory, molecular dynamics simulation, Monte Carlo simulation, coarse-grained modeling, lattice Boltzmann simulation, self-consistent field theory, mesh-free methods, multiscale simulation, and machine learning algorithms.

Dr. Shengfeng Cheng
Dr. Jiajia Zhou
Dr. Ting Ge
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. Polymers 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.


  • soft matter dynamics
  • molecular dynamics simulation
  • polymer physics
  • rheology and mechanics
  • multi-scale modeling of polymers

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Published Papers

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