Special Issue "Molecular Dynamics Simulation of Polymeric Materials"
Deadline for manuscript submissions: 28 February 2024 | Viewed by 1270
Interests: electromechanical properties in amino acids and polymers; molecular simulation; prebiotic chemistry; molecular evolution; crystal–amino acid interaction
High-strength products such as natural polymers have been largely replaced by new elastomeric polymers and other types of synthetic materials. The term "polymer" was introduced by Berzelius until more current, stable definitions were achieved. Polymer science is a scientific discipline that studies the various properties of these complex molecular materials at different scales. In this Special Issue, we will explore their structure, electrical properties, environmental compatibility, biotechnological and pharmaceutical uses, and potential as organic storage media using molecular dynamics. These molecular dynamics simulations of polymeric materials enable the prediction of various properties. In addition, the current capabilities of computer simulations provide molecular-level explanations for ferroelectric, thermal, and electromechanical properties, and we need these efforts to move from traditional chemistry to molecular simulations to the green physicochemistry that forms the basis of this volume. It gives us the opportunity not only to understand the nanoscale properties of different types of polymers, but also to apply these different high-performance features in our daily lives. In the case of polymers, it is possible to coordinate them with different surfaces to improve the performance of solar cells and storage devices, such as computers and power generation. Other important aspects of molecular dynamics simulations in polymers include the self-assembly and oligomerization of chiral monomers. From there, we move to the fundamental aspect of polymer synthesis from the perspective of complex systems, for example, by simulating the molecular dynamics of living systems. In this volume, we will discuss polymer characterization and performance aspects in molecular computer simulations.
Dr. Alejandro Heredia Barbero
Dr. Ana Guadalupe Rodríguez Hernández
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.
- polymeric materials
- molecular dynamics
- molecular simulation
- natural polymers
- synthetic polymers
- conducting polymers