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Book

A. Z. Panagiotopoulos, Essential Thermodynamics, Drios Press, 2011.

Journal articles {in reverse chronological order}

Metastable liquid–liquid transition in a molecular model of water
J. C. Palmer, F. Martelli, Y. Liu, R. Car, A. Z. Panagiotopoulos, and P. G. Debenedetti; Nature510, 385-388 (2014). 
Atomistic Molecular Dynamics Simulations of CO2 Diffusivity in H2O for a Wide Range of Temperatures and Pressures
O. A. Moultos, I. N. Tsimpanogiannis, A. Z. Panagiotopoulos, and I. G. Economou; J. Phys. Chem. B, 118, 5532-41 (2014). 
Sequential Domain Realignment Driven by Conformational Asymmetry in Block Copolymer Thin Films
A. Nikoubashman, R. A. Register, and A. Z. Panagiotopoulos; Macromolecules47, 1193-8 (2014). 
Flow-induced demixing of polymer-colloid mixtures in microfluidic channels
A. Nikoubashman, N. A. Mahynski, and A. Z. Panagiotopoulos  J. Chem. Phys.140, 094903, 8 pp (2014).
Self-Assembly of Polymer-Grafted Nanoparticles in Thin Films
T. Lafitte, S. K. Kumar, and A. Z. Panagiotopoulos;  Soft Matter10, 786-94 (2014).
Flory-Huggins parameter χ, from binary mixtures of Lennard-Jones particles to block copolymer melts
A. Chremos, A. Nikoubashman, and A. Z. Panagiotopoulos  J. Chem. Phys.140, 054909, 10 pp (2014).
Simulations of Shear-Induced Morphological Transitions in Block Copolymers
A. Nikoubashman, R. A. Register, and A. Z. Panagiotopoulos;  Soft Matter9, 9960-71 (2013).
Molecular Dynamics Simulation of SDS and CTAB Micellization and Prediction of Partition Equilibria with COSMOmic
S. Storm, S. Jakobtorweihen, I. Smirnova, and A. Z. Panagiotopoulos; Langmuir, 29, 11582-92 (2013). 
Self-Assembly of Cylinder-Forming Diblock Copolymer Thin Films
A. Nikoubashman, R. A. Register, and A. Z. Panagiotopoulos; Macromolecules46, 6651-8 (2013). 
Phase Behavior of Athermal Colloid - Star Polymer Mixtures
N. A. Mahynski and A. Z. Panagiotopoulos;  J. Chem. Phys.139, 024907, 7 pp (2013).
Phase Behavior of Rigid, Amphiphilic Star Polymers
C. Koch, A. Z. Panagiotopoulos, F. Lo Verso, and C. N. Likos;  Soft Matter, 9, 7424-36 (2013).
Diffusivities, Viscosities, and Conductivities of Solvent-free Ionic Grafted Nanoparticles
B. Hong and A. Z. Panagiotopoulos;  Soft Matter9, 6091-6102 (2013).
Structure of Phase-Separated Athermal Colloid-Polymer Systems in the Protein Limit
N. A. Mahynski, B. Irick, and A. Z. Panagiotopoulos; Phys. Rev. E, 87, 022309, 9 pp (2013).
Simulations of Vapor–Liquid Phase Equilibrium and Interfacial Tension in the CO2–H2O–NaCl System
Y. Liu, T. Lafitte, A. Z. Panagiotopoulos, and P. G. Debenedetti; AIChEJ.59: 3514-22 (2013).
Liquid-liquid transition in ST2 water
Y. Liu, J. C. Palmer, A. Z. Panagiotopoulos, and P. G. Debenedetti;  J. Chem. Phys.137, 214505, 10 pp (2012).
Conformational Transitions of Weak Polyacids Grafted to Nanoparticles
S. A. Barr and A. Z. Panagiotopoulos; J. Chem. Phys.137, 144704, 6 pp (2012).
A Computational Investigation of the Phase Behavior and Capillary Sublimation of Water Confined Between Nanoscale Hydrophobic Plates
A. L. Ferguson, N. Giovambattista, P. J. Rossky, A. Z. Panagiotopoulos, and P. G. Debenedetti; J. Chem. Phys.137, 144501, 21 pp (2012).
Shear-induced Alignment of Lamellae in Thin Films of Diblock Copolymers
A. Chremos, P. M. Chaikin, R. A. Register, and A. Z. Panagiotopoulos;  Soft Matter8, 7803-11 (2012).
Grand Canonical Monte Carlo Method for Donnan Equilibria
S. A. Barr and A. Z. Panagiotopoulos; Phys. Rev. E, 86, 016703, 5 pp (2012).
Massively Parallel Chemical Potential Calculation on Graphics Processing Units
K. B. Daly, J. B. Benziger, P. G. Debenedetti, and A. Z. Panagiotopoulos; Comp. Phys. Comm.183, 2054-62 (2012).
Dynamics in Coarse-grained Models of Oligomer-grafted Silica Nanoparticles
B. Hong, A. Chremos, and A. Z. Panagiotopoulos; J. Chem. Phys.136, 204904, 9pp (2012). 
Sphere-to-Cylinder Transitions in Thin Films of Diblock Copolymers under Shear: The Role of Wetting Layers
A. Chremos, P. M. Chaikin, R. A. Register, and A. Z. Panagiotopoulos; Macromolecules45, 4406-15 (2012). 
Pressure and Density Scaling for Colloid-polymer Systems in the Protein Limit
N. A. Mahynski, T. Lafitte, and A. Z. Panagiotopoulos; Phys. Rev. E85, 051402, 9pp (2012). 
Molecular Dynamics Simulations of Silica Nanoparticles grafted with Poly(Ethylene Oxide) Oligomer Chains
B. Hong and A. Z. Panagiotopoulos; J. Phys. Chem. B116, 2385-95 (2012). 
Atomistic Simulations of Micellization of Sodium Hexyl, Heptyl, Octyl and Nonyl Sulfates
S. Sanders, M. Sammalkorpi, and A. Z. Panagiotopoulos; J. Phys. Chem. B116, 2430-37 (2012). 
Dynamics of Solvent-free Grafted Nanoparticles
A. Chremos, A. Z. Panagiotopoulos, and D. L. Koch; J. Chem. Phys.136, 044902, 9pp (2012). 
Self-assembly of Coarse-grained Ionic Surfactants Accelerated by Graphics Processing Units
D. N. LeBard, B. G. Levine, P. Mertmann, S. A. Barr, A. Jusufi, S. Sanders, M. L. Klein, and A. Z. Panagiotopoulos;  Soft Matter, 8, 2385-97 (2012).
Simulations of the Structure and Dynamics of Nanoparticle-based Ionic Liquids
B. Hong, A. Chremos, and A. Z. Panagiotopoulos; Faraday Disc.154, 29-40 (2012). 
Self-assembly Scenarios for Block Copolymer Stars
C. Koch, C. N. Likos, A. Z. Panagiotopoulos, and F. Lo Verso; Molec. Phys., 109, 3049-60 (2011).
Dissipative Particle Dynamics Simulations of Polymer-protected Nanoparticle Self-Assembly
J. R. Spaeth, I. G. Kevrekidis, and A. Z. Panagiotopoulos; J. Chem. Phys.135, 184903, 10pp (2011). 
Structure of Solvent-free Grafted Nanoparticles: Molecular Dynamics and Density-functional Theory
A. Chremos, A. Z. Panagiotopoulos, H.-Y. Yu, and D. L. Koch; J. Chem. Phys.135, 114901, 12pp (2011). 
Structural Transitions of Solvent-Free Oligomer-Grafted Nanoparticles
A. Chremos and A. Z. Panagiotopoulos; Phys. Rev. Lett., 107, 105503, 5pp (2011). 
Interactions Between Charged Surfaces with Ionizable Sites
S. A. Barr and A. Z. Panagiotopoulos; Langmuir, 27, 8761-66 (2011). 
Nonlinear Dimensionality Reduction in Molecular Simulation: The Diffusion Map Approach
A. L. Ferguson, A. Z. Panagiotopoulos, I. G. Kevrekidis, and P. G. Debenedetti; Chem. Phys. Lett., 509, 1-11 (2011). 
Monte Carlo Simulations of High-Pressure Phase Equilibria of CO2–H2O Mixtures
Y. Liu, A. Z. Panagiotopoulos, and P. G. Debenedetti; J. Phys. Chem. B, 115, 6629-35 (2011). 
Lattice Model of Oligonucleotide Hybridization in Solution: I. Model and Thermodynamics
J. C. Araque, A. Z. Panagiotopoulos, and M. A. Robert J. Chem. Phys., 134, 165103, 14 pp (2011). 
A Comparison of Implicit- and Explicit-Solvent Simulations of Self-Assembly in Block Copolymer & Solute Systems
J. R. Spaeth, I. G. Kevrekidis, and A. Z. Panagiotopoulos J. Chem. Phys., 134, 164902, 13pp (2011). 
Integrating Diffusion Maps with Umbrella Sampling: Application to Alanine Dipeptide
A. L. Ferguson, A. Z. Panagiotopoulos, P. G. Debenedetti and I. G. Kevrekidis J. Chem. Phys., 134, 135103, 15pp (2011).
Simulations of Micellization of Sodium Hexyl Sulfate
M. Sammalkorpi, S. Sanders, A. Z. Panagiotopoulos, M. Karttunen, and M. Haataja; J. Phys. Chem. B, 115, 1403-10 (2011).
Implicit-Solvent Models for Micellization: Nonionic Surfactants and Temperature-Dependent Properties
A. Jusufi, S. Sanders, M. L. Klein, and A. Z. Panagiotopoulos; J. Phys. Chem. B, 115, 990-1001 (2011).
Coarse-Graining of Chain Models in Dissipative Particle Dynamics Simulations
J. R. Spaeth, T. Dale, I. G. Kevrekidis and A. Z. Panagiotopoulos; Ind. Eng. Chem. Research50, 69-77 (2011).