Publications between 1996 and 2000
{reverse chronological order}
Coexistence and Criticality in Size-Asymmetric Hard-Core Electrolytes
J. M. Romero-Enrique, G. Orkoulas, A. Z. Panagiotopoulos, M. E. Fisher, Phys. Rev. Lett., 85, 4558-61 (2000).
On the Equivalence of Continuum and Lattice Models for Fluids
A.Z. Panagiotopoulos, J. Chem. Phys., 112, 7132-7 (2000).
Force Field Development for Simulations of Condensed Phases
A.Z. Panagiotopoulos, AIChE Symp. Ser. No. 325,97 61-70 (2001).
Surface tension of the 3-dimensional Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations
J. Potoff and A. Z. Panagiotopoulos, J. Chem. Phys., 112, 6411-5 (2000).
Vapor-Liquid Equilibrium of Water, Carbon Dioxide and the Binary System Water + Carbon Dioxide from Molecular Simulation
J. Vorholz, V. I. Harismiadis, B. Rumpf, A. Z. Panagiotopoulos and G. Maurer, Fluid Phase Equil., 170, 203-34 (2000).
Criticality and crossover in accessible regimes
G. Orkoulas, A. Z. Panagiotopoulos and M. E. Fisher, Phys. Rev. E, 61, 5930-9 (2000).
Molecular Simulation of Phase Equilibria for Water-n-Butane and Water-n-Hexane Mixtures
G.C. Boulougouris, J.R. Errington, I.G. Economou, A.Z. Panagiotopoulos and D.N. Theodorou, J. Phys. Chem. B, 104, 4958-63 (2000).
A Monte Carlo study of the structural properties of end-linked polymer networks
N. Gilra, C. Cohen and A. Z. Panagiotopoulos, J. Chem. Phys., 112, 6910-6 (2000).
New Intermolecular Potential Models for Benzene and Cyclohexane
J.R. Errington and A.Z. Panagiotopoulos, J. Chem. Phys., 111, 9731-8 (1999).
Large Lattice Discretization Effects on the Phase Coexistence of Ionic Fluids
A.Z. Panagiotopoulos and S.K. Kumar, Phys. Rev. Lett., 83, 2981-84 (1999).
Monte Carlo Methods for Phase Equilibria of Fluids
A.Z. Panagiotopoulos, J. Phys. Condens. Matter, 12, R25-R52 (2000).
Molecular Simulation of Phase Equilibria for Mixtures of Polar and Non-Polar Components
J.J. Potoff, J.R. Errington and A.Z. Panagiotopoulos, Molec. Phys., 97, 1073-83 (1999).
A New Potential Model for the n-Alkanes Homologous Series
J.R. Errington and A.Z. Panagiotopoulos, J. Phys. Chem. B., 103, 6314-22 (1999).
Thermodynamics of Reversibly Associating Polymer Solutions
S.K. Kumar and A.Z. Panagiotopoulos, Phys. Rev. Lett. 82, 5060-63 (1999).
Monte Carlo Simulations of Model Nonionic Surfactants
A.P. Chatterjee and A.Z. Panagiotopoulos, in Computer Simulation Studies in Condensed Matter Physics XII, D.P. Landau, S.P. Lewis and H.B. Schuettler (eds), Spinger Verlag, Berlin (1999).
Micellization in Model Surfactant Systems
M.A. Floriano, E. Caponetti and A.Z. Panagiotopoulos, Langmuir., 15, 3143-51 (1999).
Critical Point and Phase Behavior of the pure fluids and a Lennard-Jones Mixture
J.J. Potoff and A.Z. Panagiotopoulos, J. Chem. Phys., 109, 10914-20 (1998).
Phase Behavior of the Restricted Primitive Model and Square-Well Fluids from Monte Carlo Simulations in the Grand Canonical Ensemble
G. Orkoulas and A. Z. Panagiotopoulos, J. Chem. Phys., 110, 1581-90 (1999).
Simulation of Polymer Melt Intercalation in Layered Nanocomposites
J. Y. Lee, A.R.C. Baljon, R.F. Loring and A.Z. Panagiotopoulos, J. Chem. Phys., 109, 10321-30 (1998).
A Fixed Point Charge Model for Water Optimized to the Vapor-Liquid Coexistence Properties
J.R. Errington and A.Z. Panagiotopoulos, J. Phys. Chem. B, 102, 7470 - 75 (1998).
Molecular Simulation of Phase Equilibria for Water-Methane and Water-Ethane Mixtures
J.R. Errington, G.C. Boulougouris, I.G. Economou, A.Z. Panagiotopoulos and D.N. Theodorou, J. Phys. Chem. B, 102, 8865-73 (1998).
Phase Equilibria of the Modified Buckingham Exponential-6 Potential from Hamiltonian Scaling Grand Canonical Monte Carlo
J.R. Errington and A. Z. Panagiotopoulos, J. Chem. Phys., 109, 1093-1100 (1998).
Phase Coexistence Properties of Polarizable Water Models
K. Kiyohara, K. E. Gubbins and A. Z. Panagiotopoulos, Molec. Phys., 94 , 803-8 (1998).
Phase Equilibria of Lattice Polymers from Histogram Reweighting Monte Carlo Simulations
A.Z. Panagiotopoulos, V. Wong and M.A. Floriano, Macromolecules, 31 (3), 912-918 (1998).
Aggregation behavior of a lattice model for amphiphiles
A.D. Mackie, A.Z. Panagiotopoulos and I. Szleifer, Langmuir, 13 , 5022-31 (1997).
Monte Carlo simulation of high-pressure phase equilibria in aqueous systems
J.R. Errington, K. Kiyohara, K. E. Gubbins and A. Z. Panagiotopoulos, Fluid Phase Equil. 150, 33-40 (1998).
Phase Coexistence Properties of Polarizable Stockmayer Fluids
K. Kiyohara, K. E. Gubbins and A. Z. Panagiotopoulos, J. Chem. Phys. 106, 3338-47 (1997).
Efficient Pressure Estimation in Molecular Simulations without evaluating the Virial
V.I. Harismiadis, J. Vorholz and A.Z. Panagiotopoulos, J. Chem. Phys. 105 , 8469-70 (1996).
Thermodynamic Scaling Gibbs ensemble Monte Carlo: A new method for determination of Phase Coexistence Properties of Fluids
K. Kiyohara, T. Spyriouni, K.E. Gubbins and A.Z. Panagiotopoulos, Molec. Phys. 89 , 965-74 (1996).
Phase equilibria of a lattice model for an oil-water-amphiphile mixture
A.D. Mackie, K. Onur, and A. Z. Panagiotopoulos J. Chem. Phys. 104, 3718-25 (1996).
Phase Diagram of the Two-Dimensional Coulomb Gas: A Thermodynamic Scaling Monte Carlo Study
G. Orkoulas and A. Z. Panagiotopoulos J. Chem. Phys. 104(18), 7205-9 (1996).
Effect of Chain Stiffness on Polymer Phase Behavior
Yu-Jane Sheng, A. Z. Panagiotopoulos, S. K. Kumar, Macromolecules 29, 4444-4446 (1996)
Current advances in Monte Carlo methods
A. Z. Panagiotopoulos, Fluid Phase Equil., 116, 257-266 (1996).
