Optimization of the Ewald method for calculating Coulomb interactions in molecular simulations von Hammonds, K. D., Heyes, D. M.

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Advances in nonequilibrium molecular dynamics simulations of lubricants and additives von Ewen, J. P., Heyes, D. M., Dini, D.

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Towards the Irving-Kirkwood limit of the mechanical stress tensor von Smith, E. R., Heyes, D. M., Dini, D.

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Translational and rotational diffusion of rod shaped molecules by molecular dynamics simulations von Heyes, D. M.

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Molecular Dynamics Studies of Overbased Detergents on a Water Surface von Bodnarchuk, M. S, Dini, D, Heyes, D. M, Breakspear, A, Chahine, S

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Equilibrium fluctuations of liquid state static properties in a subvolume by molecular dynamics von Heyes, D. M., Dini, D., Smith, E. R.

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Intrinsic viscuit probability distribution functions for transport coefficients of liquids and solids von Heyes, D. M., Dini, D.

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Unification of Ewald and shifted force methods to calculate Coulomb interactions in molecular simulations von Hammonds, K. D., Heyes, D. M.

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The equivalence between volume averaging and method of planes definitions of the pressure tensor at a plane von Heyes, D. M., Smith, E. R., Dini, D., Zaki, T. A.

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Self-Diffusion Coefficient of the Hard-Sphere Fluid:  System Size Dependence and Empirical Correlations von Heyes, D. M, Cass, M. J, Powles, J. G, Evans, W. A. B

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Shadow Hamiltonian in classical NVE molecular dynamics simulations: A path to long time stability von Hammonds, K. D., Heyes, D. M.

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Transport coefficients of the Lennard-Jones fluid close to the freezing line von Heyes, D. M., Dini, D., Costigliola, L., Dyre, J. C.

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A localized momentum constraint for non-equilibrium molecular dynamics simulations von Smith, E R, Heyes, D M, Dini, D, Zaki, T A

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Shadow Hamiltonian in classical NVE molecular dynamics simulations involving Coulomb interactions von Hammonds, K. D., Heyes, D. M.

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Shear stress relaxation and diffusion in simple liquids by molecular dynamics simulations: Analytic expressions and paths to viscosity von Heyes, D. M., Smith, E. R., Dini, D.

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Viscuit and the fluctuation theorem investigation of shear viscosity by molecular dynamics simulations: The information and the noise von Heyes, D. M., Dini, D., Smith, E. R.

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Single trajectory transport coefficients and the energy landscape by molecular dynamics simulations von Heyes, D. M., Dini, D., Smith, E. R.

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Bounded inverse power potentials: Isomorphism and isosbestic points von Nikiteas, I., Heyes, D. M.

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Models to predict configurational adiabats of Lennard-Jones fluids and their transport coefficients von Heyes, D. M., Dini, D., Pieprzyk, S., Brańka, A. C., Costigliola, L.

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Bulk viscosity of hard sphere fluids by equilibrium and nonequilibrium molecular dynamics simulations von Heyes, D. M., Pieprzyk, S., Brańka, A. C.

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