Special Issue "Mathematical and Computational Modeling for Nanohybrids"

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Theory and Simulation of Nanostructures".

Deadline for manuscript submissions: 30 November 2022 | Viewed by 59

Special Issue Editor

Dr. Qing Peng
grade E-Mail Website
Guest Editor
Physics Department, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia
Interests: multiscale modeling (algorithm and applications); nonlinear mechanics of nanomaterials and low-dimensional (2D) materials; radiation damage, mechanics of nuclear materials; mechanics of energetic materials; ferroelectrics
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Special Issue Information

Dear Colleagues,

The Special Issue, entitled “Mathematical and Computational Modeling for Nanohybrids ”, welcomes the numerical research of nanohybrids by means of computation, numerical analyses, modeling, and the interplay of modeling and computational mathematics. Nanohybrids are materials with organic and inorganic components that are linked together at the nanometer scale. All numerical investigations are encouraged, including first-principles calculations, molecular dynamics simulations, Monte Carlo simulations, tight-banding, phase fields, finite element methods, multiscale modeling, and other mathematical and computational models. This Special Issue will especially focus on the studies of various properties (structural, mechanical, electrical, thermal, optical, acoustic, chemical, etc.) of nanohybrids for diverse applications in energy, catalysis, electronics, optoelectronics, advanced functionals, and so on. Advanced algorithms and methods for nanohybrids from all disciplines are also desirable.

Dr. Qing Peng
Guest Editor

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 2400 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 modeling
  • nanohybrids
  • molecular dynamics
  • structure and properties
  • nanocomposites

Published Papers

This special issue is now open for submission.
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