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The Journal of Chemical Physics|April 8, 2023
Departures from perfect isomorph behavior in Lennard-Jones fluids and solidsD M Heyes, D Dini, S Pieprzyk, et al.The Journal of Chemical Physics|December 13, 2023
Harmonic models and molecular dynamics simulations of isomorph behavior of Lennard-Jones fluids: Excess entropy and high temperature limiting behaviorD M Heyes, D Dini, S Pieprzyk, et al.The Journal of Chemical Physics|February 12, 2014
The method of planes pressure tensor for a spherical subvolumeD M Heyes, E R Smith, D Dini, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 26, 2012
Control-volume representation of molecular dynamicsE R Smith, D M Heyes, D Dini, et al.The Journal of Chemical Physics|July 20, 2011
The equivalence between volume averaging and method of planes definitions of the pressure tensor at a planeD M Heyes, E R Smith, D Dini, et al.The Journal of Chemical Physics|February 23, 2015
A localized momentum constraint for non-equilibrium molecular dynamics simulationsE R Smith, D M Heyes, D Dini, et al.Journal of Chemical Theory and Computation|November 19, 2015
Role of Deprotonation Free Energies in pKa Prediction and Molecule RankingM S Bodnarchuk, D M Heyes, D Dini, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|May 24, 2011
Parametrization of linear dielectric responseW A B Evans, D M Heyes, J G Powles, et al.The Journal of Chemical Physics|August 28, 2024
Models to predict configurational adiabats of Lennard-Jones fluids and their transport coefficientsD M Heyes, D Dini, S Pieprzyk, et al.Langmuir : the ACS Journal of Surfaces and Colloids|July 1, 2017
Molecular Dynamics Studies of Overbased Detergents on a Water SurfaceM S Bodnarchuk, D Dini, D M Heyes, et al.Pageof 8