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Computational Design and Modeling of Low-Dimensional Materials and van der Waals Heterostructures for Advanced Electronic and Quantum Technologies

Submission Deadline: 01 April 2027 View: 420 Submit to Special Issue

Guest Editor(s)

Dr. Mohammed Traiche

Email: md.traiche@univ-chlef.dz

Affiliation: Faculty of Technology, Hassiba Benbouali University of Chlef, Chlef, Algeria; Laboratory of theoretical physics and material physics, Hassiba Benbouali University of Chlef, Chlef, Algeria

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Research Interests: first-principles calculations, density functional theory (DFT), nanoscience and nanotechnology, computational modeling of advanced materials, perovskite materials

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Summary

Low-dimensional materials, including zero-dimensional (0D), one-dimensional (1D), and two-dimensional (2D) systems, exhibit unique electronic, optical, magnetic, and quantum properties arising from quantum confinement and reduced dimensionality. Recent advances in computational materials science have enabled the prediction, design, and optimization of these materials for applications ranging from nanoelectronics and optoelectronics to quantum computing and energy technologies.


This Special Issue focuses on computational and theoretical investigations of low-dimensional materials and their heterostructures using first-principles calculations, multiscale simulations, machine learning techniques, quantum transport modeling, and materials informatics approaches.


Low-dimensional materials and van der Waals (vdW) heterostructures have emerged as a transformative platform for next-generation electronic, optoelectronic, spintronic and quantum devices. Their exceptional tunability, combined with advances in computational materials science, has enabled the discovery and optimization of novel functionalities that are difficult to achieve in conventional materials.

The Special Issue welcomes studies that bridge fundamental physics and practical device applications, including the prediction of electronic, optical, magnetic, thermal, and quantum properties of low-dimensional materials. Contributions combining computational methods with experimental validation are also encouraged.

By covering a broad range of computational approaches and emerging applications, this Special Issue seeks to advance the understanding and engineering of low-dimentional materials for future nanoelectronic, photonic, energy, and quantum technologies.

Topics of Interest
1. First-Principles Modeling and Materials Discovery
2. Machine Learning and Materials Informatics
3. Electronic Structure Engineering
4. Quantum Transport and Device Modeling
5. van der Waals and Hybrid Heterostructures
6. Moiré Physics and External Perturbation Engineering
7. Optical and Excitonic Phenomena
8. Spin, Magnetism, and Quantum Materials
9. Thermal and Phononic Properties
10. Energy, Catalysis, and Functional Applications
11. Low-Dimensional Nanostructures


Keywords

low-dimensional materials, van der Waals heterostructures, first-principles calculations, density functional theory, machine learning, electronic structure engineering, quantum transport, moiré superlattices, excitonic phenomena, spintronics, quantum materials, thermal transport, energy applications, nanoelectronics, quantum technologies

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