Publications

Arya, G., Chang, H. C., & Maginn, E. J. (2003). Molecular simulations of knudsen wall-slip: Effect of wall morphology. Molecular Simulation, 29(10–11), 697–709. https://doi.org/10.1080/0892702031000103257

Kioupis, L. I., Arya, G., & Maginn, E. J. (2002). Pressure-enthalpy driven molecular dynamics for thermodynamic property calculation II: Applications. Fluid Phase Equilibria, 200(1), 93–110. https://doi.org/10.1016/S0378-3812(02)00015-8

Arya, G., Chang, H. C., & Maginn, E. J. (2001). A critical comparison of equilibrium, non-equilibrium and boundary-driven molecular dynamics techniques for studying transport in microporous materials. Journal of Chemical Physics, 115(17), 8112–8124. https://doi.org/10.1063/1.1407002

Arya, G., Maginn, E. J., & Chang, H. C. (2001). Effect of the surface energy barrier on sorbate diffusion in A1PO4-5. Journal of Physical Chemistry B, 105(14), 2725–2735. https://doi.org/10.1021/jp003350g

Arya, G., Maginn, E. J., & Chang, H. C. (2000). Efficient viscosity estimation from molecular dynamics simulation via momentum impulse relaxation. Journal of Chemical Physics, 113(6), 2079–2087. https://doi.org/10.1063/1.482019