Publications by authors named "Jayant Singh"

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Design modifications of agricultural hand tools based on anthropometric study for the farm workers of Uttarakhand, India.
Bhawana Negi, Jayant Singh, Triveni Prashad Singh, Achugatla Kesav Kumar

Work· December 2025

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TiCT-based Zr@MXene for CO capture and conversion.
Deeksha Jaiswal, Chandan Sharma, Sudipta Roy, Prabhakar K Pandey, Abdul Quiyoom, Jayant K Singh

Chem Commun (Camb)· November 2025

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Morphological and microstructural insights into mixed surfactant systems: a molecular dynamics study.
Riya Sharma, Mangesh Bhendale, Somnath Das, Samiran Mahapatra, Jayant K Singh

Soft Matter· October 2025

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Shear-induced diffusivity in supercooled liquids.
Mangesh Bhendale, Jayant K Singh, Alessio Zaccone

J Chem Phys· October 2025

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Unusual one dimensional cascade effect in the thermal and photo-induced switching of azobenzene derivatives on a graphite surface.
Hariom Birla, Showkat H Mir, Khushboo Yadav, Thomas Halbritter, Alexander Heckel, Jayant K Singh

Chem Sci· April 2025

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Large Area Film of Highly Crystalline, Cleavable, and Transferable Semi-Conducting 2D-Imine Covalent Organic Framework on Dielectric Glass Substrate.
Diksha Srivastava, Vipin Mishra, Showkat H Mir, Jyotirban Dey, Jayant K Singh

ACS Appl Mater Interfaces· June 2024

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Design expert based optimization of the pyrolysis process for the production of cattle dung bio-oil and properties characterization.
Lovepreet Kaur, Jayant Singh, Alaknanda Ashok, Vijay Kumar

Sci Rep· April 2024

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Machine-Learning-Driven High-Throughput Screening of Transition-Metal Atom Intercalated g-CN/MX (M = Mo, W; X = S, Se, Te) Heterostructures for the Hydrogen Evolution Reaction.
M V Jyothirmai, Roshini Dantuluri, Priyanka Sinha, B Moses Abraham, Jayant K Singh

ACS Appl Mater Interfaces· March 2024

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Angina Bullosa Hemorrhagica: A Rare Presentation of Oral Bleeding.
Jayant Singh, Anil Wanjari

Cureus· March 2024

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Accelerating In Silico Discovery of Metal-Organic Frameworks for Ethane/Ethylene and Propane/Propylene Separation: A Synergistic Approach Integrating Molecular Simulation, Machine Learning, and Active Learning.
Varad Daoo, Jayant K Singh

ACS Appl Mater Interfaces· February 2024

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Does freezing induce self-assembly of polymers? A molecular dynamics study.
Mangesh Bhendale, Aindrila Indra, Jayant K Singh

Soft Matter· October 2023

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Does supercooled water retain its universal nucleation behavior under shear at high pressure?
Snehitha Srirangam, Mangesh Bhendale, Jayant K Singh

Phys Chem Chem Phys· August 2023

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An amine decorated MOF for direct capture of CO from ambient air.
Mayank Gupta, Varad Daoo, Jayant K Singh

Dalton Trans· August 2023

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Understanding the role of polymers on the nucleating behavior of water in dilute supercooled solutions.
Aindrila Indra, Mangesh Bhendale, Jayant K Singh

J Chem Phys· July 2023

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Machine Learning-Driven Discovery of Key Descriptors for CO Activation over Two-Dimensional Transition Metal Carbides and Nitrides.
B Moses Abraham, Oriol Piqué, Mohd Aamir Khan, Francesc Viñes, Francesc Illas, Jayant K Singh

ACS Appl Mater Interfaces· June 2023

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Molecular Insights on Morphology, Composition, and Stability of Mixed Micelles Formed by Ionic Surfactant and Nonionic Block Copolymer in Water Using Coarse-Grained Molecular Dynamics Simulations.
Mangesh Bhendale, Jayant K Singh

Langmuir· April 2023

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Updated greenhouse gas inventory estimates for Indian underground coal mining based on the 2019 IPCC refinements.
Ajay K Singh, Udayan Singh, Durga C Panigrahi, Jayant Singh

iScience· September 2022

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Cardiac Complications in Marfan Syndrome: A Review.
Jayant Singh, Anil Wanjari

Cureus· September 2022

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Mechanistic insights of key host proteins and potential repurposed inhibitors regulating SARS-CoV-2 pathway.
Debabrata Pramanik, Aiswarya B Pawar, Sudip Roy, Jayant Kumar Singh

J Comput Chem· July 2022

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Efficient CO Capture and Activation on Novel Two-Dimensional Transition Metal Borides.
Showkat H Mir, Vivek K Yadav, Jayant K Singh

ACS Appl Mater Interfaces· July 2022

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The pressure induced phase diagram of double-layer ice under confinement: a first-principles study.
M V Jyothirmai, B Moses Abraham, Jayant K Singh

Phys Chem Chem Phys· July 2022

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Insights into the Phase Diagram of Pluronic L64 Using Coarse-Grained Molecular Dynamics Simulations.
Mangesh Bhendale, Arpita Srivastava, Jayant K Singh

J Phys Chem B· June 2022

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Building Unit Extractor for Metal-Organic Frameworks.
Prosun Halder, Prerna, Jayant K Singh

J Chem Inf Model· December 2021

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High-Throughput Screening of Atomic Defects in MXenes for CO Capture, Activation, and Dissociation.
Vanshree Parey, B Moses Abraham, Showkat H Mir, Jayant K Singh

ACS Appl Mater Interfaces· August 2021

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Phase Behavior of Pure PSPC and PEGylated Multicomponent Lipid and Their Interaction with Paclitaxel: An All-Atom MD Study.
Prantar Dutta, Debabrata Pramanik, Jayant K Singh

Langmuir· August 2021

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