Vikram Mahamiya

Postdoctoral Fellows
Postdoctoral Fellow
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Condensed Matter and Statistical Physics
+39 040 2240 457
vmahamiy@ictp.it
+39 040 2240 457
vmahamiy@ictp.it
LB-234
0000-0002-8913-558X

Vikram Mahamiya

My research primarily focuses on ab-initio calculations of nanomaterials, with a particular emphasis on understanding the electronic structure and optical properties of clusters and 2D nanomaterials. I am also interested in investigating the energy storage, catalytic, sensing, and metal-ion battery characteristics of surfaces and interfaces (solid-solid and solid-liquid). For this purpose, we employ a range of computational techniques, including density functional theory (DFT), density functional tight binding (DFTB), ab-initio molecular dynamics (AIMD), wave function-based methods (CI and CC), and machine learning approaches.

Publications

Journal article
2022
Prediction of a novel 2D porous boron nitride material with excellent electronic, optical and catalytic properties
Physical Chemistry Chemical Physics (2022)
Vikram Mahamiya
Journal article
2022
Influence of compressive strain on the hydrogen storage capabilities of graphene: a density functional theory study
Bulletin of Materials Science (2022)
Mahamiya, V. | Shukla, A. | Garg, N. | Chakraborty, B.
Journal article
2022
Exploring yttrium doped C24 fullerene as a high-capacity reversible hydrogen storage material: DFT investigations
Journal of Alloys and Compounds (2022)
Vikram Mahamiya
Preprint
2021
Exploring yttrium doped C$_{24}$ fullerene as a high-capacity reversible hydrogen storage material: DFT investigations
Vikram Mahamiya | Alok Shukla | Brahmananda Chakraborty
Preprint
2021
Scandium decorated C$_{24}$ fullerene as high capacity reversible hydrogen storage material: Insights from density functional theory simulations
Vikram Mahamiya | Alok Shukla | Brahmananda Chakraborty

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