Multiscale Simulation and Modeling of Polymer Systems

Dear Colleagues,

Polymeric materials exhibit complex behaviors that emerge from interactions spanning multiple length and time scales, from molecular structure and chain dynamics to macroscopic processing and performance. Accurately capturing these multiscale phenomena remains a central challenge in polymer science and engineering, and it is essential for the design of advanced materials and optimized manufacturing processes.

This Special Issue of Polymers invites original research articles and reviews focused on multiscale simulation and modeling of polymer systems. We welcome contributions that advance theoretical, computational, and data-driven approaches for bridging atomistic, mesoscopic, and continuum descriptions of polymer behavior. Topics of interest include, but are not limited to, molecular dynamics and coarse-grained modeling, multiscale constitutive modeling, hybrid and concurrent multiscale frameworks, numerical methods for polymer flows, and the integration of machine learning and artificial intelligence into multiscale modeling strategies.

This Special Issue aims to highlight recent methodological innovations, practical applications, and emerging research directions that improve predictive capabilities and computational efficiency in polymer modeling. Contributions addressing polymer processing, rheology, transport phenomena, functional and smart polymers, and structure–property relationships are particularly encouraged.

By bringing together diverse perspectives from mathematics, mechanics, materials science, and data science, this Special Issue seeks to foster interdisciplinary collaboration and provide a comprehensive snapshot of current advances and future opportunities in multiscale modeling of polymer systems.

Dr. Célio Fernandes
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 250 words) can be sent to the Editorial Office for assessment.

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-anonymized 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.