Author

Shakti Singh

Institutions: Raja Ramanna Centre for Advanced Technology, Homi Bhabha National Institute, Indira Gandhi Centre for Atomic Research

Observed institutions: Raja Ramanna Centre for Advanced Technology, Homi Bhabha National Institute, Indira Gandhi Centre for Atomic Research

ORCID: 0000-0002-8394-2225

Observed ORCID: 0000-0002-8394-2225

OpenAlex ID: A5023567541

Strain Engineering of 2D-C3N5 Monolayer and Its Application in Overall Water-Splitting: a Hybrid Density Functional Study

2022 · Shakti Singh, P. Anees, et al. · The Journal of Physical Chemistry C · 23

Characterization of Iron Phosphate glass from melt-quench simulations using ab-initio molecular dynamics

2024 · Sruti Sangeeta Jena, Sharat Chandra, et al. · Journal of Non-Crystalline Solids · 10

Characterizing MRO in atomistic models of vitreous SiO2 generated using ab-initio molecular dynamics

2023 · Sruti Sangeeta Jena, Shakti Singh, et al. · Applied Physics A · 8

Developing atomistic glass models using potential-free Monte Carlo method: From simple to complex structures

2021 · Shakti Singh, Sharat Chandra · Computational Materials Science · 6

Toward Atomistic Understanding of Iron Phosphate Glass: A First-Principles-Based Density Functional Theory Modeling and Study of Its Physical Properties

2024 · Shakti Singh, Manan Dholakia, et al. · The Journal of Physical Chemistry B · 4

Medium-Range Order in Iron Phosphate Glass Models Obtained Using Various Randomization Techniques: A Molecular Dynamics Study

2025 · Shakti Singh, Manan Dholakia, et al. · Journal of Chemical Theory and Computation · 3

Works count: 6

Citation count: 54

H-index: 4

I10-index: 2