Special Issue "Computational Study of Nanomaterials"
Deadline for manuscript submissions: closed (30 June 2022) | Viewed by 30588
Interests: computational materials science; computational materials design; functional nanomaterials
Special Issues, Collections and Topics in MDPI journals
Computational study of nanomaterials is a young but fast-growing field. Already, it has risen to being the third most used approach applied to materials, following experimental and theoretical studies. Coupled with materials informatics, the “Computational Study of Nanomaterials” will lay a solid foundation for apprehending the nanomaterials for structural and functional applications. This Special Issue aims to publish research work that is related to understanding the mechanical, electronic and chemical properties of nanomaterial by using multiscale modeling techniques (e.g., ab-initio method, molecular dynamics, Monte Carlo method, phase-field modeling, finite element methods), and machine learning algorithms. The nanomaterials in the works may include nano-scale materials (e.g., nanoparticles, nanowires and two-dimensional materials) and nanostructured advanced materials (e.g., nanocomposites, nanocrystalline materials, high-entropy materials, metallic nano-glasses, etc).
You are cordinally invited to submit research articles with the following topics to this Special Issue, and any research work related to computational study of nanomaterials are welcome.
- First-principles prediction on novel physical and chemical properties of nanomaterials.
- Studies on physical and chemical properties of novel nanomaterials by machine learning.
- Computational studies on structure–property relationships in nanomaterials.
- Atomistic (ab-initio, molecular dynamics) simulation on mechanical properties of nanomaterials.
- Studies on nanomechanics by multiscale simulation approaches.
Dr. Guang-Ping Zheng
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. Nanomaterials 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 2900 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.
- First-principles prediction
- Structure–property relationship
- Atomistic simulation
- Multiscale modeling and simulation
- Machine learning