J. Singh

J. Singh, I. N. Choudhary, R. Prasad, 2023, Proceedings of the Institution of Mechanical Engineers, Part C: Journal of Mechanical Engineering Science.

Vapor–liquid phase coexistence curves for Morse fluids

J. Singh, S. Kwak, J. Adhikari, 2006 .

Validation of Salivary Markers, IL-1β, IL-8 and Lgals3bp for Detection of Oral Squamous Cell Carcinoma in an Indian Population

J. Singh, Prerana Singh, J. Verma, 2020, Scientific Reports.

An efficient use of waste PE for hydrophobic surface coating and its application on cotton fibers for oil-water separator

Jayant K. Singh, A. Singh, J. Singh, 2019, Progress in Organic Coatings.

Surface tension and vapor-liquid phase coexistence of confined square-well fluid.

J. Singh, S. Kwak, 2003, The Journal of chemical physics.

Magnetite-Coated Boron Nitride Nanosheets for the Removal of Arsenic(V) from Water.

Sadanandam Namsani, J. Singh, A. Singh, 2019, ACS applied materials & interfaces.

Synthesis of Anion Exchange Polystyrene Membranes for the Electrolysis of Sodium Chloride

S. Sachdeva, J. Singh, Anilesh Kumar, 2008 .

Phase transitions in nanoconfined fluids: The evidence from simulation and theory

Peter T. Cummings, Christopher R. Iacovella, Jayant K. Singh, 2010 .

Molecular Simulation of Wetting Transitions on Novel Materials

J. Singh, Sandip Khan, J. Singh, 2012 .

Effect of nanoparticles on vapour-liquid surface tension of water: A molecular dynamics study

J. Singh, N. Sinha, 2017 .

The effect of ionisation of silica nanoparticles on their binding to nonionic surfactants in oil–water system: an atomistic molecular dynamic study

J. Singh, P. Katiyar, 2018 .

Removal of arsenic ions using hexagonal boron nitride and graphene nanosheets: a molecular dynamics study

J. Singh, A. Kommu, N. Sinha, 2017 .

Surface Phase Transition of Associating Fluids on Functionalized Surfaces

J. Singh, Sandip Khan, 2011 .

Wetting transition of water on graphite and boron-nitride surfaces: A molecular dynamics study

J. Singh, Sandip Khan, R. C. Dutta, 2011 .

Prewetting transitions of one site associating fluids.

J. Singh, Sandip Khan, 2010, The Journal of chemical physics.

Quasi-2D and prewetting transitions of square-well fluids on a square-well substrate

J. Singh, S. Kwak, Satya P. Singh, 2009 .

Thin-thick surface phase coexistence and boundary tension of the square-well fluid on a weak attractive surface.

J. Singh, S. Kwak, G. Sarma, 2008, The Journal of chemical physics.

Surface phase transitions of multiple-site associating fluids

J. Singh, Sandip Khan, Debdip Bhandary, 2012 .

Scaling of granular temperature in vibro-fluidized grains

J. Singh, I. Sharma, Ashish Bhateja, 2016 .

Understanding adsorption behavior of silica nanoparticles over a cellulose surface in an aqueous medium

J. Singh, A. Pramanik, T. Patra, 2016 .

Fusing machine learning strategy with density functional theory to hasten the discovery of MXenes for hydrogen generation

J. Singh, Priyanka Sinha, B. Abraham, 2022, 2212.05213.

Influence of high-intensity horizontal mould vibration on the density, grain refinement and mechanical characteristics of a die cast aluminium alloy (LM21)

J. Singh, Santosh Kumar, M. Deo, 2022, Proceedings of the Institution of Mechanical Engineers, Part E: Journal of Process Mechanical Engineering.

Effect of pore morphology on vapor–liquid phase transition and crossover behavior of critical properties from 3D to 2D

J. Singh, S. Singh, J. Singh, 2011 .

Striped gold nanoparticles: New insights from molecular dynamics simulations.

J. Singh, M. Cordeiro, Vasumathi Velachi, 2016, The Journal of chemical physics.

Melting transition of confined Lennard-Jones solids in slit pores

Jayant K. Singh, J. Singh, Chandan K. Das, 2013, Theoretical Chemistry Accounts.

Calculation of phase coexistence properties and surface tensions of n-alkanes with grand-canonical transition-matrix monte carlo simulation and finite-size scaling.

J. Singh, J. Errington, J. Singh, 2006, The journal of physical chemistry. B.

Effects of Electric Field on the Vapor–Liquid Equilibria of Nanoconfined Methanol and Ethanol

J. Singh, Kartik Srivastava, Debdip Bhandary, 2014 .

Effect of Electric Field on Water Confined in Graphite and Mica Pores

J. Singh, P. Cummings, R. Srivastava, 2012 .

Oscillatory Melting Temperature of Stockmayer Fluid in Slit Pores

J. Singh, C. Das, 2014 .

Ice adhesion mechanism on lubricant-impregnated surfaces using molecular dynamics simulations

J. Singh, Atanu K Metya, 2018, Molecular Simulation.

Study of ice nucleation on silver iodide surface with defects

Prerna, J. Singh, Atanu K Metya, 2019, Molecular Physics.

Substrate directed self-assembly of anisotropic nanoparticles

J. Singh, T. Patra, P. Katiyar, 2015 .

Adsorption and Separation of N2/CH4/CO2/SO2 Gases in Disordered Carbons Obtained Using Hybrid Reverse Monte Carlo Simulations

J. Singh, Xuan Peng, S. Jain, 2017 .

Mechanistic insights for electrochemical reduction of CO2 into hydrocarbon fuels over O-terminated MXenes

J. Singh, V. Parey, Moses Abraham Bokinala, 2022, Catalysis Science & Technology.

Molecular Dynamics Study on the Adsorption of UO22+ from an Aqueous Phase: Effect of Grafting Dibenzo Crown Ether and Dicyclohexano Crown Ether on the Polystyrene Surface

J. Singh, Praveenkumar Sappidi, 2020, Journal of Chemical & Engineering Data.

Selective Separation of CO2 from Flue Gas Using Carbon and Boron Nitride Nanotubes as a Membrane

M. Maurya, J. Singh, Praveenkumar Sappidi, 2020 .

Higher-order virial coefficients of water models.

D. Kofke, J. Singh, A. Schultz, 2007, The journal of physical chemistry. B.

Building Unit Extractor for Metal-Organic Frameworks

Prerna, Prosun Halder, Jayant K. Singh, 2021, J. Chem. Inf. Model..

Molecular dynamics study of wetting behavior of grafted thermo-responsive PNIPAAm brushes.

J. Singh, M. Cordeiro, Zuzana Benková, 2016, Soft matter.

Evaporation induced self-assembly of different shapes and sizes of nanoparticles: A molecular dynamics study.

J. Singh, P. Katiyar, J. Singh, 2019, The Journal of chemical physics.

d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations

J. Singh, A. Goswami, Rohit Goswami, 2019, J. Chem. Inf. Model..

A general topological network criterion for exploring the structure of icy nanoribbons and monolayers.

J. Singh, A. Goswami, 2019, Physical chemistry chemical physics : PCCP.

ff ects of Electric Field on the Vapor − Liquid Equilibria of Nanocon fi ned Methanol and Ethanol

J. Singh, Kartik Srivastava, Debdip Bhandary, 2014 .

Phase Transitions of Water in Graphite and Mica Pores

Peter T. Cummings, Rajat Srivastava, Jayant K. Singh, 2011 .

Effect of Ionic Liquid Impregnation in Highly Water-Stable Metal–Organic Frameworks, Covalent Organic Frameworks, and Carbon-Based Adsorbents for Post-combustion Flue Gas Treatment

M. Maurya, J. Singh, 2019, Energy & Fuels.

Insight into the mechanism of nanoparticle induced suppression of interfacial tension

J. Singh, B. Abraham, Shubham Tiwari, 2021 .

Effects of interfaces on structure and dynamics of water droplets on a graphene surface: A molecular dynamics study.

M. Maurya, J. Singh, S. Saito, 2021, The Journal of chemical physics.

Dewetting dynamics of a gold film on graphene: implications for nanoparticle formation.

Sadanandam Namsani, J. Singh, 2016, Faraday discussions.

Unraveling the stacking effect and stability in nanocrystalline antimony through DFT

J. Singh, S. Mir, V. Yadav, 2020 .

A computational study of structural, electronic and carrier mobility of boron and phosphorus/nitrogen co-doped graphene

J. Singh, S. Mir, V. Yadav, 2019, Physica B: Condensed Matter.

A review on graphene-based materials for removal of toxic pollutants from wastewater

J. Singh, A. Kommu, Anitha Kommu, 2020, Soft Materials.

Double-walled carbon nanotube array for CO2 and SO2 adsorption.

F. Müller-Plathe, J. Singh, J. J. Schneider, 2015, The Journal of chemical physics.

Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states.

F. Müller-Plathe, J. Singh, Atanu K Metya, 2016, Physical chemistry chemical physics : PCCP.

Direct determination of fluid-solid coexistence of square-well fluids confined in narrow cylindrical hard pores.

J. Singh, S. Kwak, W. Chen, 2010, The Journal of chemical physics.

Understanding adsorption of CO2, N2, CH4 and their mixtures in functionalized carbon nanopipe arrays.

M. Maurya, J. Singh, S. Jain, 2016, Physical chemistry chemical physics : PCCP.

Understanding Carbon Dioxide Adsorption in Carbon Nanotube Arrays: Molecular Simulation and Adsorption Measurements

F. Müller-Plathe, J. Singh, J. J. Schneider, 2013 .

Confining effect of carbon-nanotube configuration on phase behavior of hard-sphere fluid

J. Singh, S. Kwak, Jong‐Min Lee, 2012 .

Surface effect on the electromelting behavior of nanoconfined water.

J. Singh, Atanu K Metya, A. Bose, 2015, Physical chemistry chemical physics : PCCP.

Bicanonical ensemble Monte Carlo simulation of water condensation in the field of crystal lattice defects

J. Singh, S. Shevkunov, 2018, Journal of Molecular Liquids.

Characterization of fluid-solid phase transition of hard-sphere fluids in cylindrical pore via molecular dynamics simulation.

J. Singh, S. Kwak, H. Huang, 2009, The Journal of chemical physics.

Vapour–liquid phase equilibria of simple fluids confined in patterned slit pores

J. Singh, S. Singh, Sandip Khan, 2011 .

Adsorptive Separation of CO2 from Multicomponent Mixtures of Flue Gas in Carbon Nanotube Arrays: A Grand Canonical Monte Carlo Study

M. Maurya, J. Singh, S. Majumdar, 2018 .

Boron–Carbon–Nitride Sheet as a Novel Surface for Biological Applications: Insights from Density Functional Theory

J. Singh, S. Mir, V. Yadav, 2019, ACS omega.

Appropriate methods to combine forward and reverse free-energy perturbation averages

David A. Kofke, Jayant K. Singh, Nandou Lu, 2003 .

Segregation physics of a macroscale granular ratchet

J. Singh, I. Sharma, Ashish Bhateja, 2017 .

A hybrid topological and shape-matching approach for structure analysis.

J. Singh, A. Goswami, 2021, The Journal of chemical physics.

Electronic properties and superior CO2 capture selectivity of metal nitride (XN) and phosphide (XP) (X = Al, Ga and In) sheets

J. Singh, S. Mir, V. Yadav, 2020 .

Screening of Hypothetical Metal–Organic Frameworks for Xylene Isomers and Ethylbenzene Separation

J. Singh, Prosun Halder, 2023, Energy & Fuels.

Integrating Machine Learning and Molecular Simulation for Material Design and Discovery

J. Singh, Priyanka Sinha, B. Abraham, 2023, Transactions of the Indian National Academy of Engineering.

Treatment of Flue Gas using Graphene Sponge: A Simulation Study

M. Maurya, J. Singh, 2018, The Journal of Physical Chemistry C.

A grand canonical Monte Carlo study of SO2 capture using functionalized bilayer graphene nanoribbons.

M. Maurya, J. Singh, 2017, The Journal of chemical physics.

High-Throughput Screening of Metal–Organic Frameworks for Ethane–Ethylene Separation Using the Machine Learning Technique

Jayant K. Singh, Prosun Halder, J. Singh, 2020 .

Molecular simulation study of vapor-liquid critical properties of a simple fluid in attractive slit pores: crossover from 3D to 2D.

J. Singh, S. Singh, A. Saha, 2010, The journal of physical chemistry. B.

Potential Drug Candidates for SARS-CoV-2 Using Computational Screening and Enhanced Sampling Methods

Sadanandam Namsani, J. Singh, Sudip Roy, 2020 .

CO2 Adsorption on Charged Carbon Nanotube Arrays: A Possible Functional Material for Electric Swing Adsorption

F. Müller-Plathe, J. Singh, M. Rahimi, 2015 .

An interaction potential to study the thermal structure evolution of a thermoelectric material: β‐Cu2Se

Sadanandam Namsani, Jayant K. Singh, Bhasker Gahtori, 2017, J. Comput. Chem..

Molecular Modeling of Capillary Condensation in Porous Materials

J. Singh, Sudhir Singh, 2012 .

Adsorption and separation of binary and ternary mixtures of SO2, CO2 and N2 by ordered carbon nanotube arrays: grand-canonical Monte Carlo simulations.

F. Müller-Plathe, J. Singh, M. Rahimi, 2016, Physical chemistry chemical physics : PCCP.

Fe3O4-Functionalized Boron Nitride Nanosheets as Novel Adsorbents for Removal of Arsenic(III) from Contaminated Water

J. Singh, V. Yadav, N. Sinha, 2020, ACS omega.

Effect of confinement on the solid-liquid coexistence of Lennard-Jones fluid.

J. Singh, C. Das, 2013, The Journal of chemical physics.

Adsorption of gas-like molecules to self-aligned square-well fluid channels under confinement of chemically patterned substrates

Ashutosh Sharma, J. Singh, Satya P. Singh, 2013, Applied Nanoscience.

Self-organization in unstable thin liquid films: dynamics and patterns in systems displaying a secondary minimum

Ashutosh Sharma, J. Singh, J. Singh, 2000 .

Structure and Dynamics of n-Alkanol Monolayers on a Mica Surface

Jayant K. Singh, Sandip Khan, J. Singh, 2014 .

Surface tension and vapor-liquid phase coexistence of the square-well fluid

D. Kofke, J. Singh, J. Errington, 2003 .

Seeding method for ice nucleation under shear.

J. Singh, I. S. Dalal, A. Goswami, 2020, The Journal of chemical physics.

Density Functional Theory Study of Aspirin Adsorption on BCN Sheets and their Hydrogen Evolution Reaction Activity: a Comparative Study with Graphene and Hexagonal Boron Nitride.

J. Singh, S. Mir, V. Yadav, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Thermal conductivity of thermoelectric material β-Cu2Se: Implications on phonon thermal transport

Sadanandam Namsani, J. Singh, Sushil Auluck, 2017 .

Fusing machine learning strategy with density functional theory to hasten the discovery of 2D MXene based catalysts for hydrogen generation

J. Singh, Priyanka Sinha, Prosun Halder, 2023, Journal of Materials Chemistry A.

Machine Learning-Driven Discovery of Key Descriptors for CO2 Activation over Two-Dimensional Transition Metal Carbides and Nitrides

F. Illas, J. Singh, F. Viñes, 2023, ACS applied materials & interfaces.

A strategic review of MXenes as emergent building blocks for future two-dimensional materials: Recent progress and perspectives

J. Singh, V. Parey, Moses Abraham Bokinala, 2022, Journal of Materials Chemistry C.

Development of Nanocomposite Grease: Microstructure, Flow, and Tribological Studies

N. Tandon, J. Singh, D. Kumar, 2017 .

Effect of Monovalent and Divalent Salts on the Interfacial and Structural Properties of Vapor-Liquid Water Interface in Presence of Sodium Dodecyl Sulfate

J. Singh, Shubham Tiwari, 2023, Journal of Molecular Liquids.

Phase Behavior of Pure PSPC and PEGylated Multicomponent Lipid and Their Interaction with Paclitaxel: An All-Atom MD Study.

J. Singh, Debabrata Pramanik, P. Dutta, 2021, Langmuir : the ACS journal of surfaces and colloids.

Removal of Pb(II) Ion Using PAMAM Dendrimer Grafted Graphene and Graphene Oxide Surfaces: A Molecular Dynamics Study.

J. Singh, M. Cordeiro, A. Kommu, 2017, The journal of physical chemistry. A.

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.

J. Singh, Mangesh Bhendale, J. Singh, 2023, Langmuir : the ACS journal of surfaces and colloids.

Janus Gold Nanoparticles from Nanodroplets of Alkyl Thiols: A Molecular Dynamics Study.

J. Singh, M. Cordeiro, Debdip Bhandary, 2017, Langmuir : the ACS journal of surfaces and colloids.

Understanding the role of polymers on the nucleating behavior of water in dilute supercooled solutions.

J. Singh, Mangesh Bhendale, Aindrila Indra, 2023, The Journal of chemical physics.

Universal Nucleation Behavior of Sheared Systems.

J. Singh, I. S. Dalal, A. Goswami, 2020, Physical review letters.

Vapor-liquid phase coexistence and transport properties of two-dimensional oligomers.

J. Singh, T. Patra, Abhiram Hens, 2012, The Journal of chemical physics.

Surface tension and vapour–liquid phase coexistence of variable-range hard-core attractive Yukawa fluids

J. Singh, 2009 .

Molecular Simulation Study of Vapor-Liquid Equilibrium of Morse Fluids

J. Singh, S. Kwak, J. Adhikari, 2007 .

Interfacial properties of Morse fluids

J. Singh, J. Adhikari, S. Kwak, 2007 .

Stability analysis in the R3BP under the effect of heterogeneous spheroid

J. Singh, M. J. Idrisi, M. Ullah, 2023, New Astronomy.

Molecular Simulation Study of the Vapor–Liquid Interfacial Behavior of a Dimer-forming Associating Fluid

D. Kofke, J. Singh, 2004 .

Universal Nucleation Behaviour of Sheared Systems

J. Singh, I. S. Dalal, A. Goswami, 2020 .

Performance evalulation of different routing algorithms in Network on Chip

Ayas Kanta Swain, Kamala Kanta Mahapatra, Jayant Kumar Singh, 2013, 2013 IEEE Asia Pacific Conference on Postgraduate Research in Microelectronics and Electronics (PrimeAsia).

Investigating Bridge-Like Structures in a Square-Well Binary Mixture Using Nvt Monte Carlo Simulation

Ashutosh Sharma, J. Singh, Satya P. Singh, 2011 .

Molecular simulation study of the effect of pressure on the vapor-liquid interface of the square-well fluid.

D. Kofke, J. Singh, 2005, Langmuir : the ACS journal of surfaces and colloids.

Molecular simulation study of effect of molecular association on vapor-liquid interfacial properties.

D. Kofke, J. Singh, 2004, The Journal of chemical physics.

Vapor-liquid critical and interfacial properties of square-well fluids in slit pores.

J. Singh, S. Kwak, S. Jana, 2009, The Journal of chemical physics.

MXene-Based Single-Atom Catalysts for Electrochemical Reduction of CO2 to Hydrocarbon Fuels

J. Singh, B. Abraham, M. V. Jyothirmai, 2023, The Journal of Physical Chemistry C.

Nucleation of Aqueous Salt Solutions on Solid Surfaces

J. Singh, Atanu K Metya, 2018 .