Application of the interface potential approach to calculate the wetting properties of a water model system

Monte Carlo Simulation Methods for Computing Liquid–Vapor Saturation Properties of Model Systems

(2013) Kaustubh S. Rane et al.   Journal of Chemical Theory and Computation

What Is the Contact Angle of Water on Graphene?

(2013) Fereshte Taherian et al.   LANGMUIR

Simplistic Coulomb Forces in Molecular Dynamics: Comparing the Wolf and Shifted-Force Approximations

(2012) J. S. Hansen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Monte Carlo simulation strategies for computing the wetting properties of fluids at geometrically rough surfaces

(2011) Vaibhaw Kumar et al.   JOURNAL OF CHEMICAL PHYSICS

Monte Carlo simulation methods for computing the wetting and drying properties of model systems

(2011) Kaustubh S. Rane et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Shifted forces in molecular dynamics

(2011) Søren Toxvaerd et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Studies of Interfacial Water at the Alumina Surface

(2011) Dimitrios Argyris et al.   Journal of Physical Chemistry C

Interfacial water on crystalline silica: a comparative molecular dynamics simulation study

(2011) Tuan A. Ho et al.   MOLECULAR SIMULATION

Simulating water with rigid non-polarizable models: a general perspective

(2011) Carlos Vega et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interfacial thermodynamics of confined water near molecularly rough surfaces

(2010) Jeetain Mittal et al.   FARADAY DISCUSSIONS

Solid-liquid surface free energy of Lennard-Jones liquid on smooth and rough surfaces computed by molecular dynamics using the phantom-wall method

(2010) Frédéric Leroy et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of interfacial properties via free-energy-based molecular simulation: The influence of system size

(2010) Eric M. Grzelak et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Simulation Study of Anisotropic Wetting

(2010) Eric M. Grzelak et al.   LANGMUIR

Nanoscale Limit to the Applicability of Wenzel’s Equation

(2010) Eric M. Grzelak et al.   LANGMUIR

Infinite-Order Transitions in Density-Functional Models of Wetting

(2010) K. Koga et al.   PHYSICAL REVIEW LETTERS

Molecular dynamics simulation of the contact angle of liquids on solid surfaces

(2009) Bo Shi et al.   JOURNAL OF CHEMICAL PHYSICS

Static and dynamic contact angles of water droplet on a solid surface using molecular dynamics simulation

(2009) Seung Do Hong et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations

(2009) R. Godawat et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Enhanced surface hydrophobicity by coupling of surface polarity and topography

(2009) N. Giovambattista et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure, Stability, and Rupture of Free and Supported Liquid Films and Assemblies in Molecular Simulations

(2008) Rahul Godawat et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Mean-field density-functional model of a second-order wetting transition

(2008) K. Koga et al.   JOURNAL OF CHEMICAL PHYSICS

Computation of interfacial properties via grand canonical transition matrix Monte Carlo simulation

(2008) Eric M. Grzelak et al.   JOURNAL OF CHEMICAL PHYSICS

Influence of Substrate Strength on Wetting Behavior

(2008) Michael S. Sellers et al.   Journal of Physical Chemistry C