Monte Carlo simulation methods for computing liquid–vapor saturation properties of model systems KS Rane, S Murali, JR Errington Journal of chemical theory and computation 9 (6), 2552-2566, 2013 | 90 | 2013 |
Monte Carlo simulation methods for computing the wetting and drying properties of model systems KS Rane, V Kumar, JR Errington The Journal of chemical physics 135 (23), 2011 | 61 | 2011 |
Using Monte Carlo simulation to compute liquid–vapor saturation properties of ionic liquids KS Rane, JR Errington The Journal of Physical Chemistry B 117 (26), 8018-8030, 2013 | 32 | 2013 |
Saturation properties of 1-alkyl-3-methylimidazolium based ionic liquids KS Rane, JR Errington The Journal of Physical Chemistry B 118 (29), 8734-8743, 2014 | 27 | 2014 |
Understanding the influence of Coulomb and dispersion interactions on the wetting behavior of ionic liquids KS Rane, JR Errington The Journal of Chemical Physics 141 (17), 2014 | 18 | 2014 |
Using isothermal-isobaric Monte Carlo simulation to study the wetting behavior of model systems K Jain, KS Rane, JR Errington The Journal of Chemical Physics 150 (8), 2019 | 12 | 2019 |
Evaluation of the performance of GAFF and CGenFF in the prediction of liquid–vapor saturation properties of naphthalene derivatives V Kumar, KS Rane, S Wierzchowski, M Shaik, JR Errington Industrial & Engineering Chemistry Research 53 (41), 16072-16081, 2014 | 12 | 2014 |
Understanding the influence of capillary waves on solvation at the liquid-vapor interface K Rane, NFA van der Vegt The Journal of Chemical Physics 144 (11), 2016 | 10 | 2016 |
Liquid–vapor phase behavior of asphaltene-like molecules KS Rane, V Kumar, S Wierzchowski, M Shaik, JR Errington Industrial & Engineering Chemistry Research 53 (45), 17833-17842, 2014 | 10 | 2014 |
Microscale investigation of DNAPL displacement by engineered graphene quantum dots in heterogeneous porous media K Rane, B Zhang, L Goual Colloids and Surfaces A: Physicochemical and Engineering Aspects 625, 126936, 2021 | 8 | 2021 |
Using Grand Canonical Monte Carlo Simulations to Understand the Role of Interfacial Fluctuations on Solvation at the Water–Vapor Interface K Rane, NFA van der Vegt The Journal of Physical Chemistry B 120 (36), 9697-9707, 2016 | 7 | 2016 |
Multistep Fractionation of Coal and Application for Graphene Synthesis K Rane, JJ Adams, JM Thode, BM Leonard, J Huo, L Goual ACS omega 6 (25), 16573-16583, 2021 | 4 | 2021 |
Effect of tacticity and degree of sulfonation of polystyrene sulfonate on calcium-binding behavior in the presence of dodecyl sulfate S Gore, K Rane Industrial & Engineering Chemistry Research 61 (36), 13442-13452, 2022 | 3 | 2022 |
Effect of binding-affinity and ATPase activity on the velocities of kinesins using ratchet models R Mukherjee, P Soppina, NM Patel, V Soppina, K Rane Cell Biochemistry and Biophysics 80 (1), 31-38, 2022 | 3 | 2022 |
Using molecular simulations to understand the effect of dodecyl sulfate on the calcium-binding ability of polystyrene sulfonate S Gore, K Rane The Journal of Physical Chemistry B 125 (28), 7919-7931, 2021 | 2 | 2021 |
Transverse correlations near solid-liquid interface: Influence of the crystal structure of solid S Chouksey, K Rane Chemical Physics 517, 188-197, 2019 | 2 | 2019 |
Fluctuations and adsorption at liquid–vapor interfaces K Rane Physical Chemistry of Gas-Liquid Interfaces, 59-78, 2018 | 2 | 2018 |
Studying the Effect of Cross-Linking and Sulfonation on the Calcium-Binding Ability of Polystyrene Sulfonate in the Presence of Dodecyl Sulfate S Gore, K Rane Industrial & Engineering Chemistry Research 62 (18), 7017-7030, 2023 | 1 | 2023 |
Spontaneous translation of nanodroplet over a heterogeneous surface due to thermal cycles: role of solid–liquid interfacial fluctuations U Saxena, S Chouksey, K Rane Molecular Physics 118 (7), e1657191, 2020 | 1 | 2020 |
Using Monte Carlo simulations to predict the distribution of properties in an ensemble of fluctuating ratchets R Mukherjee, K Rane arXiv preprint arXiv:2311.17520, 2023 | | 2023 |