Ministry of Education
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Dr Krishna Mohan Gupta

vidwan id: 612232
Male

Assistant Professor (Grade-I), Department of Chemical Engineering
Indian Institute of Technology Jammu

Orchid Icon 0000-0003-4839-5980 Google Scholar Icon 55845419533 Researcher Icon EYQ-9920-2022 Google Scholar Icon Uwq3HEUAAAAJ

Expertise

  • Chemical Engineering

Publications

Total Articles 41
Books 0
Proceedings 0

Publications

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Scopus

Citations 2705
h-index 25

CrossRef

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Citations 44
h-index 2
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Professional Recognition

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Community & Membership

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Bio

Computational Materials Modeling and Simulation (MD Simulation, DFT)

Personal Details

  • Male
  • Assistant Professor (Grade-I) , Indian Institute of Technology Jammu
  • Indian Institute of Technology Jammu, Jagti, NH-44 , PO Nagrota Jammu
Ph.D
National University of Singapore, Singapore 2014
Assistant Professor (Grade-I) Feb 2025 – Present
Indian Institute of Technology Jammu | Department of Chemical Engineering

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Scholarly Work

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Scholarly Publications

Synergistic Computational and Experimental Investigation of Covalent Organic Frameworks for Efficient Alcohol Dehydration

Open Access
Article
Year: 2025. Volume: 17 , Issue: 18 , Pages: 26551-26564 .
Authors: Gupta K.M.;Aitipamula S.;Chin X.;Chow P.S.
DOI 10.1021/acsami.5c01219

Evaluation of polymer-preservative interactions for preservation efficacy: molecular dynamics simulation and QSAR approaches

Open Access
Article
Year: 2024. Volume: 16 , Issue: 36 , Pages: 17049-17063 .
Authors: Xu Q.;Chow P.S.;Xi E.;Marsh R.;Gupta S.;Gupta K.M.
DOI 10.1039/d4nr02162b
1

Molecular Interactions between APIs and Enteric Polymeric Excipients in Solid Dispersion: Insights from Molecular Simulations and Experiments

Open Access
Article
Year: 2023. Volume: 15 , Issue: 4 .
Authors: Gupta K.M.;Chin X.;Kanaujia P.
DOI 10.3390/pharmaceutics15041164
8

Formulation and Skin Permeation of Active-Loaded Lipid Nanoparticles: Evaluation and Screening by Synergizing Molecular Dynamics Simulations and Experiments

Open Access
Article
Langmuir. Year: 2023. Volume: 39 , Issue: 1 , Pages: 308-319 .
Authors: Gupta K.M.;Das S.;Wong A.B.H.;Chow P.S.
DOI 10.1021/acs.langmuir.2c02550
9

In-silico design of covalent organic framework membranes for efficient water/ethanol separation

Open Access
Article
Journal of Membrane Science. Year: 2023. Volume: 687 .
Authors: Gupta K.M.;Aitipamula S.;Chow P.S.
DOI 10.1016/j.memsci.2023.122083
8

Polymorphism and distinct physicochemical properties of the phloretin-nicotinamide cocrystal

Open Access
Article
CrystEngComm. Year: 2022. Volume: 24 , Issue: 3 , Pages: 560-570 .
Authors: Aitipamula S.;Shan L.P.;Gupta K.M.
DOI 10.1039/d1ce01352a
18

Molecular dynamics simulations to elucidate translocation and permeation of active from lipid nanoparticle to skin: Complemented by experiments

Open Access
Article
Year: 2021. Volume: 13 , Issue: 30 , Pages: 12916-12928 .
Authors: Gupta K.M.;Das S.;Chow P.S.
DOI 10.1039/d1nr02652f
20

Cocrystal Formulations: Evaluation of the Impact of Excipients on Dissolution by Molecular Simulation and Experimental Approaches

Open Access
Article
Year: 2021. Volume: 21 , Issue: 2 , Pages: 1006-1018 .
Authors: Cadden J.;Gupta K.M.;Kanaujia P.;Coles S.J.;Aitipamula S.
DOI 10.1021/acs.cgd.0c01351
17