Journal Menu► ▼ Journal Menu
Journal Browser► ▼ Journal Browser
Special Issue "Computational Quantum Physics and Chemistry of Nanomaterials"
A special issue of Nanomaterials (ISSN 2079-4991).
Deadline for manuscript submissions: 15 February 2020.
Department of Chemistry, Faculty of Science, Masaryk University, Brno, Czech Republic
Interests: computational materials science; physics and chemistry of condensed matter; ab initio studies of solids with extended defects; positron annihilation studies; materials design; multi-scale modeling
Nanomaterials become more and more important both in basic research and in applications. Some properties may be understood only at the level of the quantum-mechanical study of these materials. The purpose of this Special Issue is to advance our fundamental understanding of the structure and technologically important properties of nanomaterials with the help of computational quantum solid-state physics and chemistry. There is no doubt that quantum-mechanical approaches are indispensable in comprehensive studies of nanomaterials and will be more and more crucial in the future. Of course, this field is too extensive and too diverse to be described in a single volume. Nevertheless, this Special Issue should provide at least a partial snapshot of the state-of-the-art of computational quantum-mechanical studies of nanomaterials, cover some recent advances and problems, and discuss promising future directions in this field.
All researchers working in the field are cordially invited to contribute with original research papers or reviews to this Special Issue, reporting on all aspects of nanomaterials studied with the help of quantum-mechanical methods, possibly (but not necessarily) combined with other simulation approaches. Studies on magnetic, electronic, thermodynamic, and other properties including the stabilization of nanocrystalline structures as well as on the computational design of new technologically promising nanomaterials will be highly appreciated.
Prof. Mojmír Šob
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. Nanomaterials is an international peer-reviewed open access monthly 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 1600 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.
- Computational quantum physics
- Computational quantum chemistry
- Quantum-mechanical simulations
- Ab initio (first-principles) calculations