6 citations · 6 across the 1 of their papers we have counts for
7 papers
Phase behavior of the Lattice Restricted Primitive Model with nearest-neighbor exclusion
Alexandre Diehl, Athanassios Z. Panagiotopoulos
The global phase behavior of the lattice restricted primitive model with nearest neighbor exclusion has been studied by grand canonical Monte Carlo simulations. The phase diagram i…
Phase diagrams in the lattice RPM model: from order-disorder to gas-liquid phase transition
Alexandre Diehl, Athanassios Z. Panagiotopoulos
The phase behavior of the lattice restricted primitive model (RPM) for ionic systems with additional short-range nearest neighbor (nn) repulsive interactions has been studied by gr…
Coarse-Grained Kinetic Computations for Rare Events: Application to Micelle Formation
Dmitry I. Kopelevich, Athanassios Z. Panagiotopoulos, Ioannis G. Kevrekidis
We discuss a coarse-grained approach to the computation of rare events in the context of grand canonical Monte Carlo (GCMC) simulations of self-assembly of surfactant molecules int…
Coarse Grained Computations for a Micellar System
Dmitry I. Kopelevich, Athanassios Z. Panagiotopoulos, Ioannis G. Kevrekidis
We establish, through coarse-grained computation, a connection between traditional, continuum numerical algorithms (initial value problems as well as fixed point algorithms) and at…
Monte Carlo study of shear-induced alignment of cylindrical micelles in thin films
Gaurav Arya, Athanassios Z. Panagiotopoulos
The behavior of confined cylindrical micelle-forming surfactants under the influence of shear has been investigated using Monte Carlo simulations. The surfactants are modeled as co…
Saddles in the energy landscape: extensivity and thermodynamic formalism
M. S. Shell, P. G. Debenedetti, A. Z. Panagiotopoulos
We formally extend the energy landscape approach for the thermodynamics of liquids to account for saddle points. By considering the extensive nature of macroscopic potential energi…