Concepedia

Sushma Yadav

SY

7

Publications

274

Citations

7

H-Index

2017

Active since

Affiliations

Indian Institute of Technology Kanpur(Current)

National Institute for Materials Science

Sushma Yadav is an author at Indian Institute of Technology Kanpur specializing in natural sciences, molecular dynamics, and quantum chemistry.

ORCID

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Publications per year

2017–2020

7

Publications

7

Large scale and linear scaling DFT with the CONQUEST code

Ayako Nakata, Jack S. Baker, Shereif Y. Mujahed et al. · The Journal of Chemical Physics · 2020 · 111 citations · Full text

A First-Principles Molecular Dynamics Study of the Solvation Shell Structure, Vibrational Spectra, Polarity, and Dynamics around a Nitrate Ion in Aqueous Solution

Sushma Yadav, Ashu Choudhary, Amalendu Chandra · The Journal of Physical Chemistry B · 2017 · 42 citations

Structural and Dynamical Nature of Hydration Shells of the Carbonate Ion in Water: An Ab Initio Molecular Dynamics Study

Sushma Yadav, Amalendu Chandra · The Journal of Physical Chemistry B · 2018 · 42 citations

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Preferential solvation, ion pairing, and dynamics of concentrated aqueous solutions of divalent metal nitrate salts

Sushma Yadav, Amalendu Chandra · The Journal of Chemical Physics · 2017 · 32 citations

Highly accurate local basis sets for large-scale DFT calculations in conquest

Jianbo Lin, Sushma Yadav, Zamaan Raza et al. · UCL Discovery (University College London) · 2019 · 20 citations

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