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., , DOI 10.1002/aic.14042 (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 Matter, 8, 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; Macromolecules, 45, 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. E, 85, 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. B, 116, 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. B, 116, 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. Research, 50, 69-77 (2011).
