Recent WMI publications in peer reviewed journals.

Molecular Dynamics Simulations of N,N,N,N-tetramethylammonium Dicyanamide Plastic Crystal and Liquid Using a Polarizable Force Field,  Phys. Chem. Chem. Phys., 12, 4635, 2010.

Influence of Polarization on Structural, Thermodynamic, and Dynamic Properties of Ionic Liquids Obtained from Molecular Dynamics Simulations, J. Phys. Chem. B, 114, 4984, 2010.

A molecular dynamics simulation study of crystalline 1, 3, 5-triamino-2, 4, 6-trinitrobenzene as a function of pressure and temperature, J. Chem. Phys. 131,224703, 2009

Relation between Heat of Vaporization, Ion Transport, Molar Volume, and Cation-Anion Binding Energy for Ionic Liquids, J. Phys. Chem. B, 133 (36), 12353-12357, 2009.

A Molecular Dynamics Simulation Study of the Pressure-Volume-Temperature Behavior of Polymer Under High Pressure, J. Chem. Phys. 130, 144904, 2009.

Viscosity of a Room Temperature Ionic Liquids: Predictions from Nonequilibrium and Equilibrium Molecular Dynamics Simulations, J. Phys. Chem. B, 113, 4771-4774, 2009.

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids, J. Phys. Chem. B, 113 (33), 11463–11478, 2009.

Polarizable and Nonpolarizable Force Fields for Alkyl Nitrates, J. Phys. Chem. B, 112 , 734 -742, 2008.

Interfacial Properties of Semifluorinated Alkane Diblock Copolymers, J. Chem. Phys. 128, 214903, 2008.

A Comparison of Ether- and Alkyl-Derivatized Imidazolium-Based Room-Temperature Ionic Liquids: A Moecular Dynamics Simulations Study,  Phys. Chem. Chem. Phys. 10, 6301-6312, 2008.