View Profile

Antara Vaidyanathan

Research Scholar, Department of Chemistry · Ramnarain Ruia College

https://researchid.co/antarav
@ruiacollege.edu
29Scopus Publications
936Google Scholar Citations
16Google Scholar h-index
18Google Scholar i10-index

Research Interests

Density functional theory, molecular dynamics, molecular modelling, computational chemistry, computational materials science

Education

M. Sc. Physical Chemistry Ramnarain Ruia Autonomous College Affiliated to the University of Mumbai Maharashtra, India

Recent Scopus Publications

  1. Influence of N and B doping on advancing hydrogen storage capabilities of 2D polyaramid
    International Journal of Hydrogen Energy, 2026
  2. High-Capacity Reversible Hydrogen Storage in Yttrium-Decorated 2D Polyaramid: Adsorption and Desorption Mechanism from DFT Simulations
    ACS Applied Energy Materials, 2026
  3. Molecular dynamics revelations of structures and dynamics of H3O+, Cu+ and Cu2+ ions within a model polymeric Nafion membrane
    Journal of Chemical Sciences, 2025
  4. Efficient Catechol Sensing in Newly Synthesized 2D Material Ti2B MBene: Insights from Density Functional Theory Simulations
    Langmuir, 2025
  5. A strain-engineering approach to enhance hydrogen storage in 2D holey graphyne
    International Journal of Hydrogen Energy, 2025

Links