Publications

10. Kaustubh Rane, Jeffrey Errington, Understanding the temperature dependence of solid-fluid interfacial properties (to be submitted).

9. Kaustubh Rane, Nico van der Vegt,, Using grand canonical Monte Carlo simulations to understand the role of interfacial fluctuations on solvation at the water-vapor interface, J. Phys. Chem. B 120, 9697 (2016) . link

8. Kaustubh Rane, Nico van der Vegt, Understanding the influence of capillary waves on solvation at the liquid-vapor interface, J. Chem. Phys. 144, 114111 (2016). link

7. Kaustubh Rane, Jeffrey Errington, Understanding the influence of Coulomb and dispersion interactions on the wetting behavior of ionic liquids, J. Chem. Phys. 141, 174706 (2014). link

6. Kaustubh Rane, Vaibhaw Kumar, Scott Wierzchowski, Majeed Shaik, Jeffrey Errington, Liquid-vapor phase behavior of asphaltene-like molecules,  Ind. Eng. Chem. Res. 53, 17833 (2014). link

5. Vaibhaw Kumar, Kaustubh Rane, Scott Wierzchowski, Majeed Shaik, Jeffrey Errington, Evaluation of the performance of GAFF and CGenFF in the prediction of liquid-vapor saturation properties of naphthalene derivatives, Ind. Eng. Chem. Res. 53, 16072 (2014). link

4. Kaustubh Rane, Jeffrey Errington, Saturation properties of 1-alkyl-3-methylimidazolium based ionic liquids, J. Phys. Chem. B 118, 8734 (2014). link

3. Kaustubh Rane, Jeffrey Errington, Using Monte Carlo simulations to compute liquid-vapor saturation properties of ionic liquids, J. Phys. Chem. B 117, 8018 (2013). link

2. Kaustubh Rane, Sabharish Murali, Jeffrey Errington, Monte Carlo simulation methods for computing liquid-vapor saturation properties of model systems, J. Chem. Theory Comput. 9, 2552 (2013). link

1. Kaustubh Rane, Vaibhaw Kumar, Jeffrey Errington, Monte Carlo simulations for computing the wetting and drying properties of model systems, J. Chem. Phys. 135, 234102 (2011). link