Molecular Simulation and Modeling of Polymers

Dear Colleagues,

In the last decade, computer simulation has developed as a powerful tool for studying the properties of polymer materials, especially for engineers. Computer simulation can study a model of a complex many-body system in full detail without involving mathematical approximations. At the same time, making comparisons using experiments helps to validate and systematically improve the model. In fact, use of computer simulation in this way is an iterative process by which the understanding of complex materials and processes can be significantly improved step by step.

Molecular simulation of bulk polymers has been applied to study the properties of polymers, such as glass transition temperature, diffusion of small molecules, plastic and elastic deformation and mechanisms of molecular mobility.

The Special Issue aims to publish new research work that advances the understanding and prediction of material behavior at scales from atomistic to macroscopic through modeling and simulation.

We are pleased to announce that the issue of Polymers will be devoted to Molecular Simulation and Modeling of Polymers. The following non-exclusive list of topics may serve as a guideline for prospective authors:

• Structure of polymers;
• Properties;
• Molecular dynamics simulations;
• Development of new modeling and simulation techniques;
• Applications

Prof. Dr. Radu Setnescu
Dr. Cristina Stancu
Guest Editors

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. 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 2200 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.