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

Efficient ethanol/water separation via functionalized nanoporous graphene membranes: insights from molecular dynamics study

Open Access
Article
Journal of Materials Science. Year: 2017. Volume: 52 , Issue: 1 , Pages: 173-184 .
Authors: Shi Q.;He Z.;Gupta K.;Wang Y.;Lu R.
DOI 10.1007/s10853-016-0319-4
39

Molecular Insights into the Nucleation and Growth of CH4 and CO2 Mixed Hydrates from Microsecond Simulations

Open Access
Article
Year: 2016. Volume: 120 , Issue: 44 , Pages: 25225-25236 .
Authors: He Z.;Gupta K.M.;Linga P.;Jiang J.
DOI 10.1021/acs.jpcc.6b07780
97

Synthesis and seawater desalination of molecular sieving zeolitic imidazolate framework membranes

Open Access
Article
Desalination. Year: 2016. Volume: 385 , Pages: 75-82 .
Authors: Zhu Y.;Gupta K.M.;Liu Q.;Jiang J.;Caro J.;Huang A.
DOI 10.1016/j.desal.2016.02.005
154

Tetracyanoborate based ionic liquids for CO2 capture: From ab initio calculations to molecular simulations

Open Access
Article
Fluid Phase Equilibria. Year: 2016. Volume: 415 , Pages: 34-41 .
Authors: Gupta K.
DOI 10.1016/j.fluid.2016.01.021
30

Seawater Pervaporation through Zeolitic Imidazolate Framework Membranes: Atomistic Simulation Study

Open Access
Article
Year: 2016. Volume: 8 , Issue: 21 , Pages: 13392-13399 .
Authors: Gupta K.M.;Qiao Z.;Zhang K.;Jiang J.
DOI 10.1021/acsami.6b01626
78

Water Desalination through Zeolitic Imidazolate Framework Membranes: Significant Role of Functional Groups

Open Access
Article
Langmuir. Year: 2015. Volume: 31 , Issue: 48 , Pages: 13230-13237 .
Authors: Gupta K.;Zhang K.;Jiang J.
DOI 10.1021/acs.langmuir.5b03593
117

Biofuel purification in GME zeolitic-imidazolate frameworks: From ab initio calculations to molecular simulations

Open Access
Article
AICHE JOURNAL. Year: 2015. Volume: 61 , Issue: 9 , Pages: 2763-2775 .
Authors: Zhang K.;Gupta K.M.;Chen Y.;Jiang J.
DOI 10.1002/aic.14787
22

Glucose recovery from aqueous solutions by adsorption in metal-organic framework MIL-101: A molecular simulation study

Open Access
Article
Scientific Reports. Year: 2015. Volume: 5 .
Authors: Gupta K.;Zhang K.;Jiang J.
DOI 10.1038/srep12821
14