Jayant  K. Singh
Jayant K. Singh
Poonam and Prabhu Goel Chair Professor & Head, Chemical Engineering, Indian Institute of Technology
Verified email at - Homepage
Cited by
Cited by
Vapor− Liquid Phase Coexistence, Critical Properties, and Surface Tension of Confined Alkanes
SK Singh, A Sinha, G Deo, JK Singh
The Journal of Physical Chemistry C 113 (17), 7170-7180, 2009
Appropriate methods to combine forward and reverse free-energy perturbation averages
N Lu, JK Singh, DA Kofke
The Journal of chemical physics 118, 2977, 2003
Mayer sampling: Calculation of cluster integrals using free-energy perturbation methods
JK Singh, DA Kofke
Physical review letters 92 (22), 220601, 2004
Removal of heavy metal ions using a functionalized single-walled carbon nanotube: a molecular dynamics study
K Anitha, S Namsani, JK Singh
The Journal of Physical Chemistry A 119 (30), 8349-8358, 2015
Surface tension and vapor–liquid phase coexistence of the square-well fluid
JK Singh, DA Kofke, JR Errington
The Journal of chemical physics 119, 3405, 2003
Recent advances in the carrier mobility of two-dimensional materials: a theoretical perspective
SH Mir, VK Yadav, JK Singh
ACS omega 5 (24), 14203-14211, 2020
Molecular simulation of shale gas adsorption and diffusion in inorganic nanopores
A Sharma, S Namsani, JK Singh
Molecular Simulation 41 (5-6), 414-422, 2015
Effect of pore morphology on vapor–liquid phase transition and crossover behavior of critical properties from 3D to 2D
SK Singh, JK Singh
Fluid Phase Equilibria 300 (1), 182-187, 2011
Higher-order virial coefficients of water models
KM Benjamin, JK Singh, AJ Schultz, DA Kofke
The Journal of Physical Chemistry B 111 (39), 11463-11473, 2007
Calculation of phase coexistence properties and surface tensions of n-alkanes with grand-canonical transition-matrix Monte Carlo simulation and finite-size scaling
JK Singh, JR Errington
The Journal of Physical Chemistry B 110 (3), 1369-1376, 2006
Phase transitions in nanoconfined fluids: The evidence from simulation and theory
PT Cummings, H Docherty, CR Iacovella, JK Singh
AIChE Journal 56 (4), 842-848, 2010
Effect of Different Surfactants on the Interfacial Behavior of the n-Hexane–Water System in the Presence of Silica Nanoparticles
NR Biswal, N Rangera, JK Singh
The Journal of Physical Chemistry B 120 (29), 7265-7274, 2016
Vapor-liquid phase coexistence curves for Morse fluids
JK Singh, J Adhikari, SK Kwak
Fluid phase equilibria 248 (1), 1-6, 2006
Surface tension and vapor-liquid phase coexistence of confined square-well fluid
JK Singh, SK Kwak
The Journal of chemical physics 126, 024702, 2007
Wetting transition of water on graphite and boron-nitride surfaces: A molecular dynamics study
RC Dutta, S Khan, JK Singh
Fluid Phase Equilibria 302 (1-2), 310-315, 2011
Fabrication of durable superhydrophobic coatings on cotton fabrics with photocatalytic activity by fluorine-free chemical modification for dual-functional water purification
AK Singh, JK Singh
New Journal of Chemistry 41 (11), 4618-4628, 2017
Wetting transition of nanodroplets of water on textured surfaces: a molecular dynamics study
S Khan, JK Singh
Molecular Simulation 40 (6), 458-468, 2014
Molecular modeling for the design of novel performance chemicals and materials
B Rai
CRC Press, 2012
Fabrication of zirconia based durable superhydrophobic–superoleophilic fabrics using non fluorinated materials for oil–water separation and water purification
AK Singh, JK Singh
RSC advances 6 (105), 103632-103640, 2016
Understanding carbon dioxide adsorption in carbon nanotube arrays: molecular simulation and adsorption measurements
M Rahimi, JK Singh, DJ Babu, JJ Schneider, F Müller-Plathe
The Journal of Physical Chemistry C 117 (26), 13492-13501, 2013
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