Ministry of Education
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Dr Nityananda Sahu

vidwan id: 527060
Male

Assistant Professor, Department of Chemistry
Indian Institute of Technology Jammu

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Expertise

  • Applied Physics

Publications

Total Articles 19
Books 0
Proceedings 0

Publications

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Scopus

Citations 600
h-index 12

CrossRef

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Citations 309
h-index 9
Google Scholar

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Professional Recognition

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Bio

Theoretical and Computational Chemistry

Personal Details

  • Male
  • Assistant Professor , Indian Institute of Technology Jammu
  • IIT Jammu, Jagti, Nagrota
PhD
Indian Institute of Technology Kanpur 2016
Assistant Professor May 2024 – Present
Indian Institute of Technology Jammu | Department of Chemistry

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Scholarly Work

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Scholarly Publications

Assisting calculation of vibrational circular dichroism spectra by molecular tailoring approach

Open Access
Article
Year: 2025. Volume: 162 , Issue: 24 .
Authors: Sharma S.;Khire S.S.;Gadre S.R.;Sahu N.
DOI 10.1063/5.0271469

Combining fragmentation method and high-performance computing: Geometry optimization and vibrational spectra of proteins

Open Access
Article
Year: 2023. Volume: 159 , Issue: 4 .
Authors: Sahu N.;Khire S.S.;Gadre S.R.
DOI 10.1063/5.0149572
3

Quasi-relativistic approach to analytical gradients of parity violating potentials

Open Access
Article
Year: 2023. Volume: 158 , Issue: 19 .
Authors: Brück S.A.;Sahu N.;Gaul K.;Berger R.
DOI 10.1063/5.0141271
4

Electrostatic Potential and Tailoring Approach for Exploring Molecular Clusters

Open Access
Book Chapter
Year: 2023. Volume: 2 , Pages: V2-V2-508 .
Authors: Gadre S.R.;Sahu N.
DOI 10.1016/B978-0-12-821978-2.00052-0

Friedrich Hund: A Pioneer of Quantum Chemistry (1896–1997)

Open Access
Article
Resonance. Year: 2022. Volume: 27 , Issue: 9 , Pages: 1483-1500 .
Authors: Gadre S.R.;Sahu N.
DOI 10.1007/s12045-022-1445-8
2

MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at ab initio level

Open Access
Article
Computer Physics Communications. Year: 2022. Volume: 270 .
Authors: Khire S.S.;Sahu N.;Gadre S.R.
DOI 10.1016/j.cpc.2021.108175
33

Instanton calculations of tunneling splittings in chiral molecules

Open Access
Article
JOURNAL OF COMPUTATIONAL CHEMISTRY. Year: 2021. Volume: 42 , Issue: 4 , Pages: 210-221 .
Authors: Sahu N.;Richardson J.O.;Berger R.
DOI 10.1002/jcc.26447
13

Harnessing desktop computers for ab initio calculation of vibrational IR/Raman spectra of large molecules

Open Access
Article
Journal of Chemical Sciences. Year: 2018. Volume: 130 , Issue: 11 .
Authors: Khire S.S.;Sahu N.;Gadre S.R.
DOI 10.1007/s12039-018-1568-3
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