95 citations · 228 across the 15 of their papers we have counts for
8 papers · 1 filter
Range separation: The divide between local structures and field theories
David M. Rogers
This work presents parallel histories of the development of two modern theories of condensed matter: the theory of electron structure in quantum mechanics, and the theory of liquid…
Dual Characterization of the Ornstein-Zernike Equation in Moment Space
David M. Rogers
The molecular density functional theory of fluids provides an exact theory for computing solvation free energies in implicit solvents. One of the reasons it has not received nearly…
Fluctuation Theory of Ionic Solvation Potentials
David M. Rogers
This work presents a rigorous statistical mechanical theory of solvation free energies, specifically useful for describing the long-range nature of ions in an electrolyte solution.…
Extension of Kirkwood-Buff Theory to the Canonical Ensemble
David M. Rogers
Kirkwood-Buff (KB) integrals are notoriously difficult to converge from a canonical simulation because they require estimating the grand-canonical radial distribution. The same ess…
Unifying Theories for Nonequilibrium Statistical Mechanics
David M. Rogers
The question of deriving general force/flux relationships that apply out of the linear response regime is a central topic of theories for nonequilibrium statistical mechanics. This…
Information Theory and Statistical Mechanics Revisited
David M. Rogers, Thomas L. Beck, Susan B. Rempe
The statistical mechanics of Gibbs is a juxtaposition of subjective, probabilistic ideas on the one hand and objective, mechanical ideas on the other. In this paper, we follow the…