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Thermodynamics of electrolytes on anisotropic lattices.

• Vladimir Kobelev, Anatoly B Kolomeisky, Athanassios Z. Panagiotopoulos
• Physical review. E, Statistical, nonlinear, and…
• 2003

The phase behavior of ionic fluids on simple cubic and tetragonal (anisotropic) lattices has been studied by grand canonical Monte Carlo simulations. Systems with both the true lattice Coulombic… (More)

Direct determination of phase coexistence properties of ̄uids by Monte Carlo simulation in a new ensemble

• Athanassios Z. Panagiotopoulos
• 2002

A methodology is presented for Monte Carlo simulation of ̄uids in a new ensemble that can be used to obtain phase coexistence properties of multicomponent systems from a single computer experiment.… (More)

Anisotropic self-assembly of spherical polymer-grafted nanoparticles.

• Pinar Akcora, Hongjun Liu, +12 authors Jack F Douglas
• Nature materials
• 2009

It is easy to understand the self-assembly of particles with anisotropic shapes or interactions (for example, cobalt nanoparticles or proteins) into highly extended structures. However, there is no… (More)

Metastable liquid–liquid transition in a molecular model of water

• Jeremy C Palmer, Fausto Martelli, Yang Liu, Roberto Car, Athanassios Z. Panagiotopoulos, Pablo G. Debenedetti
• Nature
• 2014

Liquid water’s isothermal compressibility and isobaric heat capacity, and the magnitude of its thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing point. Many… (More)

Composite block copolymer stabilized nanoparticles: simultaneous encapsulation of organic actives and inorganic nanostructures.

• Marian E. Gindy, Athanassios Z. Panagiotopoulos, Robert K. Prud'homme
• Langmuir : the ACS journal of surfaces and…
• 2008

We describe the preparation and characterization of hybrid block copolymer nanoparticles (NPs) for use as multimodal carriers for drugs and imaging agents. Stable, water-soluble, biocompatible… (More)

Molecular structural order and anomalies in liquid silica.

• M. Scott Shell, Pablo G. Debenedetti, Athanassios Z. Panagiotopoulos
• Physical review. E, Statistical, nonlinear, and…
• 2002

The present investigation examines the relationship between structural order, diffusivity anomalies, and density anomalies in liquid silica by means of molecular dynamics simulations. We use… (More)

Phase Equilibria of the Modified Buckingham Exponential-6 Potential from Hamiltonian Scaling Grand Canonical Monte Carlo

• Jeffrey R Errington, Athanassios Z. Panagiotopoulos
• 1998

Coarse bifurcation analysis of kinetic Monte Carlo simulations : A lattice-gas model with lateral interactions

• Alexei G. Makeeva, Athanassios Z. Panagiotopoulos
• 2002

We present a computer-assisted study of ‘‘coarse’’ stability/bifurcation calculations for kinetic Monte Carlo simulators using the so-called coarse timestepper approach presented in A. G. Makeev, D.… (More)

Phase equilibria by simulation in the Gibbs ensemble Alternative derivation , generalization and application to mixture and membrane equilibria

• Athanassios Z. Panagiotopoulos
• 2006

The Gibbs-ensemble Monte Carlo simulation methodology for phase equilibrium calculations proposed by Panagiotopoulos [1] is generalized and applied to mixture and membrane equilibria. An alternative… (More)

Coarse-grained kinetic computations for rare events: application to micelle formation.

• Dmitry I Kopelevich, Athanassios Z. Panagiotopoulos, Ioannis G. Kevrekidis
• The Journal of chemical physics
• 2005

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 into micelles. The… (More)

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