Sharat Chandra

About

I am working in computational materials science. I use DFT and MD techniques as main tools for simulating structural, magnetic and optical properties of materials. I am mostly interested in the mechanics of phase transitions observed at high temperatures and pressures.

Employment

• Homi Bhabha National Institute Professor
  2009 - Present
• Indira Gandhi Centre for Atomic Research Scientist
  1997 - Present
• Indira Gandhi Centre for Atomic Research Visiting Scientist
  1996 - 1997

Education

• Indian Institute of Technology Delhi PhD in Physics
  1990 - 1996
• University of Lucknow Masters in Physics
  1987 - 1989

Projects & Funding

Projects & funding information is unavailable.

Publications (107)

• Ab-initio investigation of the interfacial structural, electronic, and magnetic properties in Co2MnAl/X (X = MgO and GaAs) heterostructures
  Journal of Alloys and Compounds 2026 DOI: 10.1016/j.jallcom.2026.189555
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• A numerical model of parallel disc capacitor probe used in nondestructive dielectric permittivity evaluation by algebraic topological method
  International Journal of Applied Electromagnetics and Mechanics 2026 DOI: 10.1177/13835416251371939
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• Ab-initio investigation of the interfacial structural, electronic, and magnetic properties in Co2MnAl/X (X = MgO and GaAs) heterostructures
  2026 DOI: 10.2139/ssrn.6546572
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• Electronic structure and magnetic anisotropy of Co2MnAl (100), (110), and (111) surfaces
  Journal of Physics: Condensed Matter 2025 DOI: 10.1088/1361-648X/adf8a8
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• Unravelling the effect of fission gases on the thermal transport and high-temperature structural stability of UO2 using atomistic simulations
  Modelling and Simulation in Materials Science and Engineering 2025 DOI: 10.1088/1361-651X/adbf33
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• 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
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• 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
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• Effect of point defects and lattice distortions on the structural, electronic, and magnetic properties of Co2MnAl Heusler alloy
  Physical Review Materials 2024 DOI: 10.1103/PhysRevMaterials.8.034405
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• An investigation on electronic and magnetic properties of Cr substituted MoS2 monolayer and multilayers—hybrid functional calculations
  Sādhanā 2024 DOI: 10.1007/s12046-024-02471-6
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• 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
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