-
-
Toggle navigation
Frontiers journals are at the top of citation and impact metrics
in Materials |
|
Submit your manuscript
Scope
The Computational Materials Science section focuses on the development and state-of-the art applications of computational and theoretical approaches to the fields of materials science and engineering. It calls for high-quality computational investigations on all classes of methods and/or materials and their structures.
Read More
Scope
The Computational Materials Science section focuses on the development and state-of-the art applications of computational and theoretical approaches to the fields of materials science and engineering. It calls for high-quality computational investigations on all classes of methods and/or materials and their structures. Of specific interest are investigations that provide novel insights into material behavior, properties and phenomena, new methods and/or simulation protocols, as well as prediction of structure-property relationships for new materials. Topics include, but are not limited to:
· Ab-initio and semi-empirical methods
· Density Functional Theory
· QM/MM approaches
· Molecular Dynamics
· Ab-initio Dynamics
· Quantum Dynamics
· Force field/molecular mechanics methods
· Macromolecular structure prediction and dynamics
· Computer-aided molecular design and modeling
· New methodologies and/or simulation protocols
· Machine learning applied to materials design and/or materials characterizations
Strong emphasis is given to the improvement, benchmarking and the state-of-the-art implementation of methods that bridge orders of magnitude by the development and validation of transferable parameters or by the definition of interfaces between methodologies. Work focusing on the mechanical responses of materials is better suited to our Mechanics of Materials section.
Indexed in: Google Scholar, DOAJ, CrossRef, Chemical Abstracts Service (CAS), Emerging Sources Citation Index, CLOCKSS
PMCID: NA
Computational Materials Science welcomes submissions of the following article types: Correction, Editorial, Mini Review, Original Research, Perspective and Review.
All manuscripts must be submitted directly to the section Computational Materials Science, where they are peer-reviewed by the Associate and Review Editors of the specialty section.
Articles published in the section Computational Materials Science will benefit from the Frontiers impact and tiering system after online publication. Authors of published original research with the highest impact, as judged democratically by the readers, will be invited by the Chief Editor to write a Frontiers Focused Review - a tier-climbing article. This is referred to as "democratic tiering". The author selection is based on article impact analytics of original research published in all Frontiers specialty journals and sections. Focused Reviews are centered on the original discovery, place it into a broader context, and aim to address the wider community across all of Materials.
Frontiers Editorial Office
Avenue du Tribunal Fédéral 34
CH – 1005 Lausanne
Switzerland
Tel +41(0)21 510 17 40
Fax +41 (0)21 510 17 01
Frontiers Support
Tel +41(0)21 510 17 10
Fax +41 (0)21 510 17 01
support@frontiersin.org
There are no results to display.
Click on any of the keywords to find further editors related to it.
- Article(s) found
- Latest
- Most viewed
This section has no articles.
There are no articles to display. Please try changing the filters.
- Research Topic(s) found
- Latest
- Most viewed
Contact Editorial Office
Avenue du Tribunal Fédéral 34
CH – 1005 Lausanne
Switzerland
Tel +41(0)21 510 17 40
Fax +41 (0)21 510 17 01
For all queries regarding manuscripts in Review and potential conflicts of interest, please contact materials.editorial.office@frontiersin.org
For queries regarding Research Topics, Editorial Board applications, and journal development, please contact materials@frontiersin.org
Tel +41(0)21 510 17 10
Fax +41 (0)21 510 17 01
For technical issues, please visit our Frontiers Help Center, or contact our IT HelpDesk team at support@frontiersin.org