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J

Jayant K. Singh

indian institute of technology system (iit system)

45H-index
317Paper Count
8.0KCitation Count
Published Papers 130
Publication Date
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Does Conductivity in PiperION Depend on Molecular Size or Intermolecular Forces? Chloride versus Hydroxide Transport
errACS Applied Polymer Materials
IF4.7
err2026-05-06
err0
PREAI
errRiya Sharma; Tamaghna Chakraborti; Anand Narayanan Krishnamoorthy; Rakesh Chandran Puthenkalathil; Harshal Chaudhari; Kuldeep Mamtani; Jayant K. Singh
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Doping as a Strategy for Modulating Crystallinity and Optical Properties of Large Area Films of Semiconducting 2D-COFs
errACS Applied Materials & Interfaces
IF0
err2026-04-28
err0
PREAI
errDiksha Srivastava; Jyotirban Dey; Soumyajit Rajak; Showkat H. Mir; Jayant K. Singh; Manabendra Chandra; Thiruvancheril G. Gopakumar
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Unravelling Ice Growth Inhibition by UiO-66 and Its Functionalized Nanoparticles: The Role of Uncoordinated Linkers in Enhancing Interfacial Interactions with Ice
errACS Applied Materials & Interfaces
IF0
err2026-04-01
err0
PREAI
errKrishnan, S. Muthu; Vishwakarma, Mona; Tagad, Amol; Singh, Jayant K.
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From density functional theory to machine learning: Emerging paradigms in energy materials discovery
errJournal of Power Sources
IF7.9
err2026-02-13
err0
PREAI
errM.V. Jyothirmai; Shrish Nath Upadhyay; S. Muthu Krishnan; Sudipta Roy; Jayant K. Singh
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Heptazine-based g-C 3N 4-supported efficient single atom electrocatalysts for HER/OER/ORR: A first-principles study
errInternational Journal of Hydrogen Energy
IF8.3
err2025-11-24
err0
PREAI
errSudipta Roy; Jayant K. Singh
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Microstructural, Physical Property, and Wear Behavior Correlationship of SIMA-Processed Al-16% Si and Al-20% Si Alloy
errJournal of Materials Engineering and Performance
IF2
err2025-11-01
err0
PREAI
errNarain, Choudhary Ishwari; Kumar, Sinha Nitesh; Manik, Mahali; Singh, J. K.
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Unveiling Atomic-Scale Mechanisms of Tantalum-Based 2D Materials for High-Performance Li–S Batteries
errSustainable Energy Fuels
IF4.1
err2025-10-24
err0
PREAI
errShrish Nath Upadhyay; Jayant K Singh
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Exploring cascaded adsorption cooling cycles with MOF − hydrocarbon integration: An accelerated computational framework using Bayesian Optimization and Monte Carlo
errJ. Mater. Chem. A
IF0
err2025-10-14
err0
PREAI
errS Muthu Krishnan; Jayant K Singh
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Ti3C2TX-based Zr@MXene for CO2 Capture and Conversion
errChem. Commun.
IF0
err2025-10-09
err0
PREAI
errDeeksha Jaiswal; Chandan Sharma; Sudipta Roy; Prabhakar K. Pandey; Abdul Quiyoom; Vinod Kumar; Pranab K. Rakshit; Seetaram Chebrolu; Jayant K Singh; Jitendra K Bera
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Effect of beam oscillation on the microstructure, residual stress, mechanical and corrosion properties of electron beam welded AISI 304SS joints
errBulletin of Materials Science
IF2.1
err2025-10-03
err0
PREAI
errRathore, A.; Roy, G. G.; Singh, J. K.; Majumdar, J. Dutta
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Morphological and microstructural insights into mixed surfactant systems: a molecular dynamics study
errSoft Matter
IF2.8
err2025-10-01
err0
PREAI
errRiya Sharma †; Mangesh Bhendale †; Somnath Das; Samiran Mahapatra; Jayant K. Singh
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Effect of brine composition on the surface energy of calcite and adhesion of oil: Implications for the wettability of limestone rocks
errJournal of Molecular Liquids
IF5.2
err2025-09-26
err0
PREAI
errSikandar Bind; Jayant K. Singh; Himanshu Sharma
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Understanding the role of alkyl chain architecture and functional group chemistry in governing ion transport in PEEK based anion exchange membranes: A molecular dynamics study
errJournal of Membrane Science
IF9
err2025-09-11
err0
PREAI
errRiya Sharma; Tamaghna Chakraborti; Jayant K. Singh
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Unraveling the Catalytic Potential of 2D Nb2Se2C for Lithium Polysulfide Conversion: A DFT Study
errACS APPLIED ENERGY MATERIALS
IF5.5
err2025-05-14
err0
PREAI
errUpadhyay, SN; Singh, JK
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Unusual one dimensional cascade effect in the thermal and photo-induced switching of azobenzene derivatives on a graphite surface
errCHEMICAL SCIENCE
IF7.4
err2025-01-01
err0
errOAAI
errBirla, Hariom; Mir, Showkat H.; Yadav, Khushboo; Halbritter, Thomas; Heckel, Alexander; Singh, Jayant K.; Gopakumar, Thiruvancheril G.
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Computational insights into the adsorption of organic compounds on peptide surfaces
errSURFACES AND INTERFACES
IF6.3
err2025-01-01
err0
PREAI
errJyothirmai, M. V.; Singh, Jayant K.
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Effect of Block Copolymer Concentration and Water-Ethanol Ratio on Phase Transitions of Pluronics Using Molecular Dynamics Simulations
errMACROMOLECULES
IF5.2
err2024-12-12
err0
PREAI
errBhendale, Mangesh; Sharma, Riya; Singh, Jayant K.
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Catalysis in the digital age: Unlocking the power of data with machine learning
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2024-09-20
err3
errOAAI
errAbraham, Bokinala Moses; Jyothirmai, Mullapudi V.; Sinha, Priyanka; Vines, Francesc; Singh, Jayant K.; Illas, Francesc
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Unravelling the effect of molecular interactions on macroscale properties in Sustainion anion exchange membrane (AEM) under hydrated conditions using MD simulations
errJOURNAL OF MEMBRANE SCIENCE
IF9
err2024-06-01
err0
PREAI
errChakraborti, Tamaghna; Sharma, Riya; Krishnamoorthy, Anand Narayanan; Chaudhari, Harshal; Mamtani, Kuldeep; Singh, Jayant K.
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Large Area Film of Highly Crystalline, Cleavable, and Transferable Semi-Conducting 2D-Imine Covalent Organic Framework on Dielectric Glass Substrate
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2024-05-30
err2
PREAI
errSrivastava, Diksha; Mishra, Vipin; Mir, Showkat H.; Dey, Jyotirban; Singh, Jayant K.; Chandra, Manabendra; Gopakumar, Thiruvancheril G.
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Research Directions

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Co-authors
Cooperation Journals
N
Nicholas A. Kotov
H-index: 146 · Papers: 757
D
Daan Frenkel
H-index: 115 · Papers: 712
F
Francesc Illas
H-index: 92 · Papers: 1.1K
S
Steve Granick
H-index: 90 · Papers: 651
S
Sanat K. Kumar
H-index: 80 · Papers: 566
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