Computational Modeling of Polymers II
A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Physics and Theory".
Deadline for manuscript submissions: closed (31 August 2023) | Viewed by 1497
Special Issue Editors
Interests: QSAR and QSTR models; machine learning; molecular dynamics; coarse-grained; polymers; nanotechnology
Special Issues, Collections and Topics in MDPI journals
Interests: QSAR and QSTR models; machine learning; molecular dynamics; coarse-grained; polymers; nanotechnology
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The development of new and innovative polymers is a challenging task. Classical approaches are time and money consuming and should be replaced by computational methodologies that allow the fast and accurate development of innovative materials. Computational modelling has been utilized for alternative approaches and is now indispensable to assist experiments while developing new polymers. In addition, computational methodologies can also help us to study and define the mechanical and physical properties of polymers. In this context, quantum-mechanical calculations, all-atomistic and coarse-grained molecular dynamics simulations, and elastic network models have become a powerful tool for analysing complex physical phenomena, i.e., bond vibrations, diffusion, and rheology of polymeric materials.
The main aim of this Special Issue is to investigate more recent computational approaches used to develop and study polymers. This Special Issue will provide an opportunity for scientists, engineers, and practitioners to present their more relevant studies and findings in this area.
Dr. Riccardo Concu
Dr. Michael González-Durruthy
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 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.
Keywords
- computational modelling
- polymers
- quantum-mechanical calculations
- all-atomistic molecular dynamics
- coarse-grained molecular dynamics
- elastic network model
