Polymers, Biomolecules and Nanocomposites: Computational Perspectives

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

Deadline for manuscript submissions: 25 July 2024 | Viewed by 162

Special Issue Editor

E-Mail Website
Guest Editor
Theoretical & Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vassileos Constantinou Avenue, 11635 Athens, Greece
Interests: computational modeling (multi-scale simulation techniques, atomistic and mesoscopic modeling); simulation studies on static; conformational and dynamic properties of polymers and colloids; biological systems (short peptides; proteins (mutations); RNA; DNA); complex materials simulation

Special Issue Information

Dear Colleagues,

Macromolecules are a very broad class of materials with potential applications in many different fields. Among them, polymers retain a prominent position due to a huge variety of parameters that can determine their functionality. Architecture, composition, chemistry, molecular weight, etc. are some of their critical features. Combined with suitable nanofillers, one can create reinforced nanocomposites with exceptional properties. Some similar features are also found in biological macromolecules (e.g., proteins), which either alone, or in combination with polymeric molecules, further expand the range of potential applications (biotechnological, medical, etc.).

This Special Issue aims to offers new insights into and reports recent progress in the field of polymers, biopolymers, and related nanocomposites, with a computational perspective on methods, models, properties, and related applications, establishing accurate structure–property relationships. Combined simulation and experimental studies would also be welcome, as they highlight the complementarity of research approaches.

Authors are invited to submit their latest results in the form of original full articles, communications, or reviews.

Dr. Anastassia Rissanou
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com 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.


  • simulations
  • polymers
  • biomolecules
  • nanofillers
  • multiscale approaches

Published Papers

This special issue is now open for submission.
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