Dr. Shakti Singh

Employment

Employment history is unavailable.

Education

Education history is unavailable.

Projects & Funding

Projects & funding information is unavailable.

Publications (6)

• Medium-Range Order in Iron Phosphate Glass Models Obtained Using Various Randomization Techniques: A Molecular Dynamics Study
  Journal of Chemical Theory and Computation 2025 DOI: 10.1021/acs.jctc.4c01372
  +Save
• Characterization of Iron Phosphate glass from melt-quench simulations using ab-initio molecular dynamics
  Journal of Non-Crystalline Solids 2024 DOI: 10.1016/j.jnoncrysol.2024.123035
  +Save
• Toward Atomistic Understanding of Iron Phosphate Glass: A First-Principles-Based Density Functional Theory Modeling and Study of Its Physical Properties
  The Journal of Physical Chemistry B 2024 DOI: 10.1021/acs.jpcb.3c07670
  +Save
• Characterizing MRO in atomistic models of vitreous SiO2 generated using ab-initio molecular dynamics
  Applied Physics A 2023 DOI: 10.1007/s00339-023-07020-2
  +Save
• Strain Engineering of 2D-C3N5 Monolayer and Its Application in Overall Water-Splitting: a Hybrid Density Functional Study
  The Journal of Physical Chemistry C 2022 DOI: 10.1021/acs.jpcc.1c10889
  +Save
• Developing atomistic glass models using potential-free Monte Carlo method: From simple to complex structures
  Computational Materials Science 2021 DOI: 10.1016/j.commatsci.2021.110943
  +Save