Special Issue "Modeling of Structure Formation in Soft 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 December 2020.

Special Issue Editor

Dr. Panagiotis Theodorakis
Guest Editor
Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw, Poland
Interests: multiscale simulation of soft matter and biological systems; computational materials science; soft condensed matter physics; fluids physics; polymer physics

Special Issue Information

Dear Colleagues,

Soft materials are fascinating, ubiquitous, and relevant for a large spectrum of diverse applications at the interface between physics, chemistry, materials science, chemical engineering, and biology. Built by a number of different components (e.g., colloids, polymers and active matter, liquid crystals, granular matter, proteins), soft materials can adopt different structures with unique properties that manifest in micro-, meso-, and macroscales and can also contribute to many exciting phenomena.

While recent advances in experimental and theoretical methods have offered significant insights into the structure of soft materials and increased understanding of their properties, important challenges remain. Many of these challenges can be overcome by computer modeling, in this way leading to a higher degree of understanding of the structure formation of soft materials and the unveiling of the structure–property relation that is required for the design of materials with tailor-made properties. To this end, the range of modeling methods to study soft materials varies, covering a various relevant length and time scales. Moreover, new methodologies emerge that include state-of-the-art hybrid modeling approaches, such as coupled molecular dynamics–continuum methods, which aim at achieving the full multiscale description of the systems.

This Special Issue aims to achieve two objectives: (i) to present novel computational methodologies that go beyond the current state of the art and are suitable for soft materials, and (ii) to highlight important contributions to our understanding in the structure formation of soft materials by modelling methods.

Dr. Panagiotis Theodorakis
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.


  • modelling of soft materials
  • quantum/atomistic/molecular/continuum/stochastic modeling
  • Artificial Intelligence
  • multiscale computer simulation
  • structure formation and properties

Published Papers

This special issue is now open for submission.
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