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Research Publications For Year 2019

  1. Physical properties and possible applications of gold-based rare earth intermetallics (R-Au): A review: Journal of Magnetism and Magnetic Materials 490,  (2019).
  2. Van der Waals heterostructures of blue phosphorene and scandium-based MXenes monolayers: Phys. Rev. B 100, (2019).

  3. Intriguing electronic and optical properties of M2CX2(M = Mo, W; X = O, F) MXenes and their van der Waals heterostructures: Chemical Physics Letters 731, (2019).     

  4. First-principles study of BiFeO3and BaTiO3in tetragonal structure: International Journal of Modern Physics B 33, (2019).

  5. A computational study on the characteristics of open-shell H-bonding interaction between carbamic acid (NH2COOH) and HO2, HOS or HSO radicals: Journal of Molecular Modeling 25, (2019).

  6. First-Principles Study of Perovskite Molybdates AMoO3(A = Ca, Sr, Ba): Journal of Electronic Materials 48, (2019).

  7. Van der Waals heterostructures of P, BSe, and SiC monolayers: J. Appl. Phys.125, (2019).

  8. Theoretical investigation of electronic structure and thermoelectric properties of MX2 (M= Zr, Hf; X= S, Se) van der Waals heterostructures: Journal of Physics and Chemistry of Solids 126, (2019).

  9. Optoelectronic and solar cell applications of Janus monolayers and their van der Waals heterostructures: Phys. Chem. Chem. Phys. 21, (2019).

About CCMS

The Center for Computational Materials Science (CCMS) at the University of Malakand is recognized as a leading center in Pakistan for groundbreaking research and innovation in advanced materials discovery. By using quantum mechanics and cutting-edge computational tools, CCMS provides a cost-effective and efficient alternative to traditional experimental methods. The center focuses on uncovering the atomistic origins of the physical properties of materials, enabling a deeper understanding of their behavior and potential applications. Our mission is to push the boundaries of scientific knowledge, foster interdisciplinary collaboration across academia and industry, and nurture the next generation of scientists equipped with expertise in quantum mechanics, materials science, and computational techniques. By addressing real-world challenges in materials science, CCMS aims to contribute to advancements in technology, economic growth, and societal well-being. Discover more about our groundbreaking research, educational programs, and transformative initiatives by visiting our website.

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