Special Issue "Monte Carlo Simulations of Polymeric Materials"

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Simulation and Design".

Deadline for manuscript submissions: 31 July 2020.

Special Issue Editor

Dr. Grzegorz Pawlik
E-Mail Website
Guest Editor
Wrocław University of Science and Technology, Wroclaw, Poland
Interests: Static and kinetic Monte Carlo simulations; Physical properties of various model host-guest systems; Monte Carlo simulations of chosen non-linear optical effects in polymeric and liquid crystalline materials

Special Issue Information

Dear Colleagues,

Polymers are macromolecules in which many monomeric repeat units are connected to form long chains. Therefore, properties of polymer systems are related to phenomena on length and time scales ranging over many orders of magnitude. This separation of scales entails difficulties. These properties may be studied using Monte Carlo (MC) approaches. Various MC models disregard detailed information on chemical structure nevertheless collective phenomena, which exhibit universal behavior of chains, can be described. This approach combines methodological simplicity with powerful prediction possibilities. Results obtained using MC simulations reproduce a large variety of static and dynamic effects in polymer systems. These simulations significantly enhance our understanding of the theoretical concepts on the properties of macromolecular systems.

The applications of polymeric materials and their composites are still increasing. MC modeling offers insights into the effects related to materials and devices based on polymers. For this reason a MC method can be successfully applied to a wide spectrum of problems in modern material sciences. This Special Issue aims to highlight recent achievements in the development of MC simulation methods and models and their applications to various polymer systems and devices. It is my pleasure to invite you to submit your results in the form of either full papers, communications, or reviews.

Potential areas and applications include, but are not limited to, the following:

  • Lattice and continuum MC models of polymers;
  • MC modeling of polymer-based devices;
  • MC modeling of DNA-based materials and other biopolymers;
  • Stochastic MC modeling of polymer systems;

Dr. Grzegorz Pawlik
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 papers will be 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. Materials 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 2000 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.


  • Computer modeling
  • Monte Carlo simulations
  • Modeling of polymers
  • Modeling of soft matter

Published Papers

This special issue is now open for submission.
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