SY
Sushma Yadav
Indian Institute of Technology BHU, National Institute for Materials Science, Indian Institute of Technology Kanpur, University of Delhi
0000-0002-7872-1209
About
A Computational Chemist!
Employment
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Indian Institute of Technology BHU National Post-doctoral Researcher (SERB)2022 - Present
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National Institute for Materials Science Post-doctoral Researcher2018 - 2021
Education
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Indian Institute of Technology Kanpur Ph.D.? - 2017
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University of Delhi M.Sc. (Physical Chemistry)? - 2010
Projects & Funding
Projects & funding information is unavailable.
Publications (8)
- Probing the influence of boron nitride doping on the two-dimensional qHP C60 monolayer: An investigation integrating first-principles and classical approaches Save
- Solvation Shell of the Nitrite Ion in Water: An Ab Initio Molecular Dynamics Study Save
- Transport of hydrated nitrate and nitrite ions through graphene nanopores in aqueous medium Save
- Large scale and linear scaling DFT with the CONQUEST code Save
- Highly accurate local basis sets for large-scale DFT calculations in conquest Save
- Structural and Dynamical Nature of Hydration Shells of the Carbonate Ion in Water: An Ab Initio Molecular Dynamics Study Save
- Preferential solvation, ion pairing, and dynamics of concentrated aqueous solutions of divalent metal nitrate salts Save
- A First-Principles Molecular Dynamics Study of the Solvation Shell Structure, Vibrational Spectra, Polarity, and Dynamics around a Nitrate Ion in Aqueous Solution Save