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- Vladimir Kobelev, Anatoly B Kolomeisky, Athanassios Z. Panagiotopoulos
- Physical review. E, Statistical, nonlinear, andâ€¦
- 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 Coulombicâ€¦ (More)

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

- 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 noâ€¦ (More)

Liquid waterâ€™s isothermal compressibility and isobaric heat capacity, and the magnitude of its thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing point. Manyâ€¦ (More)

- Marian E. Gindy, Athanassios Z. Panagiotopoulos, Robert K. Prud'homme
- Langmuir : the ACS journal of surfaces andâ€¦
- 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, biocompatibleâ€¦ (More)

- M. Scott Shell, Pablo G. Debenedetti, Athanassios Z. Panagiotopoulos
- Physical review. E, Statistical, nonlinear, andâ€¦
- 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 useâ€¦ (More)

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

We present a computer-assisted study of â€˜â€˜coarseâ€™â€™ stability/bifurcation calculations for kinetic Monte Carlo simulators using the so-called coarse timestepper approach presented in A. G. Makeev, D.â€¦ (More)

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 alternativeâ€¦ (More)

- 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. Theâ€¦ (More)