Theory and Simulation of Nanostructures
A section of Nanomaterials (ISSN 2079-4991).
Section Information
It is well known that nanostructures used in the area of nanotechnology are materials at 1–100 nm and most of them are synthetic and can be engineered to a wide range of physical properties. Nanowires, cylindrical nanotubes, quantum dots, thin films and quantum wells are common nanostructures. Nanotechnology combines materials science, physics, chemistry, biology, engineering, biochemistry, biophysics, health and environmental sciences. It is a highly interdisciplinary area, meaning that it involves ideas integrated from many traditional disciplines. The Section "Theory and Simulation of Nanostructures" publishes original theoretical and/or experimental communications, articles, and review articles in the area of the theory and simulation of nanostructures. The research of the published articles focuses on the design, development and study of electronic, optical, magnetic (etc.) properties of nanostructures, with an emphasis on their application in quantum technology, optoelectronics, photovoltaics, sensors and health sciences. All manuscripts submitted for publication in this Section will be reviewed by expert Section Editors and undergo a rigorous peer review process. Our goal is to publish high-quality, high-impact research in the area of theory and simulation of nanostructures.
Editorial Board
Topical Advisory Panel
Special Issues
Following special issues within this section are currently open for submissions:
- Theoretical Simulations on Single-Atom Materials (Deadline: 25 February 2026)
- Multiscale Modeling and Characterization Technique of Advanced Nanostructured Materials for Extreme Service (Deadline: 10 March 2026)
- Advances in Nanoscale Friction (Deadline: 10 March 2026)
- Structural Modeling and Theoretical Study of Low-Dimensional Materials (Second Edition) (Deadline: 10 April 2026)
- Computational Chemistry and Theoretical Catalysis for Nanomaterial-Catalyzed Chemical Conversion and Energy Storage (Deadline: 20 April 2026)
- Advances and Applications of Quantum Chemistry and Electronic Structure Approaches in Nanomaterials (Deadline: 30 April 2026)
- Physics Theory of Low-Dimensional Nanomaterials: Topological Phase Transitions, Spin Effects and Quantum Transport (Deadline: 30 April 2026)
- Theory and Modeling of Nanostructured Materials (Deadline: 1 May 2026)
- Theoretical Study of Organic and Hybrid Nanomaterials in Optoelectronic Systems (Deadline: 15 May 2026)
- Experimental Analysis and Numerical Simulations of Porous Media or Fluid Flowing at Nanoscale (Deadline: 20 May 2026)
- Advances in Nanoscale Spintronics (Deadline: 5 June 2026)
- Catalysis at the Nanoscale: Insights from Theory and Simulation (Deadline: 26 June 2026)
- Synthesis and Theory of Nanoscale Architectures (Deadline: 30 June 2026)
- Computational Design of Nanostructures and Related Experimental Validation (Deadline: 10 July 2026)
- Theoretical Calculations and Simulations of Low-Dimensional Materials (Deadline: 30 July 2026)
