14 citations · 14 across the 2 of their papers we have counts for
4 papers
Multi-scale theory in the molecular simulation of electrolyte solutions
W. Zhang, X. You, L. R. Pratt
This paper organizes McMillan-Mayer theory, the potential distribution approach, and quasi-chemical theory to provide theory for the thermodynamic effects associated with longer sp…
Generalizations of the Fuoss Approximation for Ion Pairing
P. Zhu, X. You, L. R. Pratt +1
An elementary statistical observation identifies generalizations of the Fuoss approximation for the probability distribution function that describes ion clustering in electrolyte s…
Mixed Direct-Iterative Methods for Boundary Integral Formulations of Dielectric Solvation Models
S. A. Corcelli, J. D. Kress, L. R. Pratt +1
This paper describes a mixed direct-iterative method for boundary integral formulations of dielectric solvation models. We give an example for which a direct solution at thermal ac…
On the free energy of ionic hydration
Gerhard Hummer, Lawrence R. Pratt, Angel E. Garcia
The hydration free energies of ions exhibit an approximately quadratic dependence on the ionic charge, as predicted by the Born model. We analyze this behavior using second-order p…