Athanassios Z. Panagiotopoulos - Publications

Affiliations: 
Chemical and Biological Engineering Princeton University, Princeton, NJ 
Area:
theoretical and computer simulation techniques for the study of properties of fluids and materials
Website:
http://www.princeton.edu/cbe/people/faculty/panagiotopoulos/

237 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Piaggi PM, Panagiotopoulos AZ, Debenedetti PG, Car R. Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN Functional. Journal of Chemical Theory and Computation. PMID 33835819 DOI: 10.1021/acs.jctc.1c00041  1
2021 Yue S, Muniz MC, Calegari Andrade MF, Zhang L, Car R, Panagiotopoulos AZ. When do short-range atomistic machine-learning models fall short? The Journal of Chemical Physics. 154: 034111. PMID 33499637 DOI: 10.1063/5.0031215  0.44
2020 Gartner TE, Zhang L, Piaggi PM, Car R, Panagiotopoulos AZ, Debenedetti PG. Signatures of a liquid-liquid transition in an ab initio deep neural network model for water. Proceedings of the National Academy of Sciences of the United States of America. PMID 33008883 DOI: 10.1073/pnas.2015440117  1
2019 Singh RS, Palmer JC, Panagiotopoulos AZ, Debenedetti PG. Thermodynamic analysis of the stability of planar interfaces between coexisting phases and its application to supercooled water. The Journal of Chemical Physics. 150: 224503. PMID 31202225 DOI: 10.1063/1.5097591  1
2019 Jiang H, Debenedetti PG, Panagiotopoulos AZ. Nucleation in aqueous NaCl solutions shifts from 1-step to 2-step mechanism on crossing the spinodal. The Journal of Chemical Physics. 150: 124502. PMID 30927905 DOI: 10.1063/1.5084248  1
2018 Morozova T, Lee VE, Panagiotopoulos AZ, Prud'homme RK, Priestley RD, Nikoubashman A. On the stability of polymeric nanoparticles fabricated through rapid solvent mixing. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30592617 DOI: 10.1021/Acs.Langmuir.8B03399  0.48
2018 Howard MP, Reinhart WF, Sanyal T, Shell MS, Nikoubashman A, Panagiotopoulos AZ. Erratum: "Evaporation-induced assembly of colloidal crystals" [J. Chem. Phys. 149, 094901 (2018)]. The Journal of Chemical Physics. 149: 209902. PMID 30501265 DOI: 10.1063/1.5080924  0.8
2018 Jiang H, Debenedetti PG, Panagiotopoulos AZ. Communication: Nucleation rates of supersaturated aqueous NaCl using a polarizable force field. The Journal of Chemical Physics. 149: 141102. PMID 30316274 DOI: 10.1063/1.5053652  1
2018 Howard MP, Reinhart WF, Sanyal T, Shell MS, Nikoubashman A, Panagiotopoulos AZ. Evaporation-induced assembly of colloidal crystals. The Journal of Chemical Physics. 149: 094901. PMID 30195293 DOI: 10.1063/1.5043401  0.8
2018 Grundy LS, Lee VE, Li N, Sosa C, Mulhearn WD, Liu R, Register RA, Nikoubashman A, Prud'homme RK, Panagiotopoulos AZ, Priestley RD. Rapid Production of Internally Structured Colloids by Flash NanoPrecipitation of Block Copolymer Blends. Acs Nano. PMID 29723470 DOI: 10.1021/Acsnano.8B01260  0.48
2018 Palmer JC, Haji-Akbari A, Singh RS, Martelli F, Car R, Panagiotopoulos AZ, Debenedetti PG. Comment on "The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water" [I and II: J. Chem. Phys. 135, 134503 (2011); J. Chem. Phys. 138, 214504 (2013)]. The Journal of Chemical Physics. 148: 137101. PMID 29626877 DOI: 10.1063/1.5029463  1
2018 Jiang H, Haji-Akbari A, Debenedetti PG, Panagiotopoulos AZ. Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions. The Journal of Chemical Physics. 148: 044505. PMID 29390820 DOI: 10.1063/1.5016554  1
2017 Jiang H, Müller-Plathe F, Panagiotopoulos AZ. Contact angles from Young's equation in molecular dynamics simulations. The Journal of Chemical Physics. 147: 084708. PMID 28863512 DOI: 10.1063/1.4994088  0.72
2017 Reinhart WF, Long AW, Howard MP, Ferguson AL, Panagiotopoulos AZ. Machine learning for autonomous crystal structure identification. Soft Matter. PMID 28621795 DOI: 10.1039/C7Sm00957G  0.52
2017 Liu W, Mahynski NA, Gang O, Panagiotopoulos AZ, Kumar SK. Directionally Interacting Spheres and Rods Form Ordered Phases. Acs Nano. PMID 28488848 DOI: 10.1021/Acsnano.7B01592  0.68
2017 Jiang H, Economou IG, Panagiotopoulos AZ. Molecular Modeling of Thermodynamic and Transport Properties for CO2 and Aqueous Brines. Accounts of Chemical Research. PMID 28234455 DOI: 10.1021/Acs.Accounts.6B00632  0.64
2017 Jiang H, Economou IG, Panagiotopoulos AZ. Phase Equilibria of Water/CO2 and Water/n-Alkane Mixtures from Polarizable Models. The Journal of Physical Chemistry. B. PMID 28107010 DOI: 10.1021/Acs.Jpcb.6B12791  0.96
2016 Mahynski NA, Rovigatti L, Likos CN, Panagiotopoulos AZ. Void-Based Assembly of Colloidal Crystals: Using Structure-Directing Agents to Direct the Assembly of Open Colloidal Crystals. G.I.T. Laboratory Journal Europe. 5: 1-5. PMID 31080380  0.4
2016 Moultos OA, Tsimpanogiannis IN, Panagiotopoulos AZ, Trusler JP, Economou IG. Atomistic Molecular Dynamics Simulations of Carbon Dioxide Diffusivity in n-Hexane, n-Decane, n-Hexadecane, Cyclohexane, and Squalane. The Journal of Physical Chemistry. B. PMID 27936740 DOI: 10.1021/Acs.Jpcb.6B04651  0.96
2016 Jiang H, Moultos OA, Economou IG, Panagiotopoulos AZ. A Hydrogen-Bonding Polarizable Intermolecular Potential Model for Water. The Journal of Physical Chemistry. B. PMID 27807969 DOI: 10.1021/Acs.Jpcb.6B08205  0.96
2016 Espinosa JR, Young JM, Jiang H, Gupta D, Vega C, Sanz E, Debenedetti PG, Panagiotopoulos AZ. On the calculation of solubilities via direct coexistence simulations: Investigation of NaCl aqueous solutions and Lennard-Jones binary mixtures. The Journal of Chemical Physics. 145: 154111. PMID 27782462 DOI: 10.1063/1.4964725  1
2016 Jiang H, Panagiotopoulos AZ. Note: Activity coefficients and solubilities for the NaCl/ϵ force field. The Journal of Chemical Physics. 145: 046101. PMID 27475399 DOI: 10.1063/1.4959789  0.72
2016 Chen H, Cox JR, Ow H, Shi R, Panagiotopoulos AZ. Hydration Repulsion between Carbohydrate Surfaces Mediated by Temperature and Specific Ions. Scientific Reports. 6: 28553. PMID 27334145 DOI: 10.1038/Srep28553  1
2016 Chen H, Cox JR, Panagiotopoulos AZ. Force Fields for Carbohydrate-Divalent Cation Interactions. The Journal of Physical Chemistry. B. PMID 27210229 DOI: 10.1021/Acs.Jpcb.6B01438  1
2016 Mahynski NA, Rovigatti L, Likos CN, Panagiotopoulos AZ. Bottom-Up Colloidal Crystal Assembly with a Twist. Acs Nano. PMID 27124487 DOI: 10.1021/Acsnano.6B01854  0.4
2016 Panagiotopoulos A, Ladomenou K, Sun D, Artero V, Coutsolelos AG. Photochemical hydrogen production and cobaloximes: the influence of the cobalt axial N-ligand on the system stability. Dalton Transactions (Cambridge, England : 2003). PMID 26978600 DOI: 10.1039/C5Dt04502A  1
2016 Palmer JC, Martelli F, Liu Y, Car R, Panagiotopoulos AZ, Debenedetti PG. Palmer et al. reply. Nature. 531: E2-3. PMID 26961661 DOI: 10.1038/Nature16540  1
2016 Santos AP, Panagiotopoulos AZ. Determination of the critical micelle concentration in simulations of surfactant systems. The Journal of Chemical Physics. 144: 044709. PMID 26827230 DOI: 10.1063/1.4940687  1
2016 Jiang H, Moultos OA, Economou IG, Panagiotopoulos AZ. Gaussian-Charge Polarizable and Non-Polarizable Models for CO2. The Journal of Physical Chemistry. B. PMID 26788614 DOI: 10.1021/Acs.Jpcb.5B11701  1
2016 Jiang H, Panagiotopoulos AZ, Economou IG. Modeling of CO2 solubility in single and mixed electrolyte solutions using statistical associating fluid theory Geochimica Et Cosmochimica Acta. 176: 185-197. DOI: 10.1016/J.Gca.2015.12.023  1
2016 Howard MP, Anderson JA, Nikoubashman A, Glotzer SC, Panagiotopoulos AZ. Efficient neighbor list calculation for molecular simulation of colloidal systems using graphics processing units Computer Physics Communications. 203: 45-52. DOI: 10.1016/J.Cpc.2016.02.003  1
2015 Nikoubashman A, Mahynski NA, Capone B, Panagiotopoulos AZ, Likos CN. Coarse-graining and phase behavior of model star polymer-colloid mixtures in solvents of varying quality. The Journal of Chemical Physics. 143: 243108. PMID 26723593 DOI: 10.1063/1.4931410  1
2015 Nikoubashman A, Lee VE, Sosa C, Prud'homme RK, Priestley RD, Panagiotopoulos AZ. Directed Assembly of Soft Colloids through Rapid Solvent Exchange. Acs Nano. PMID 26692293 DOI: 10.1021/Acsnano.5B06890  0.48
2015 Jiang H, Mester Z, Moultos OA, Economou IG, Panagiotopoulos AZ. Thermodynamic and Transport Properties of H2O + NaCl from Polarizable Force Fields. Journal of Chemical Theory and Computation. 11: 3802-10. PMID 26574461 DOI: 10.1021/Acs.Jctc.5B00421  0.96
2015 Mester Z, Panagiotopoulos AZ. Temperature-dependent solubilities and mean ionic activity coefficients of alkali halides in water from molecular dynamics simulations. The Journal of Chemical Physics. 143: 044505. PMID 26233143 DOI: 10.1063/1.4926840  1
2015 Howard MP, Panagiotopoulos AZ, Nikoubashman A. Inertial and viscoelastic forces on rigid colloids in microfluidic channels. The Journal of Chemical Physics. 142: 224908. PMID 26071732 DOI: 10.1063/1.4922323  1
2015 Mahynski NA, Kumar SK, Panagiotopoulos AZ. Tuning polymer architecture to manipulate the relative stability of different colloid crystal morphologies. Soft Matter. 11: 5146-53. PMID 26041452 DOI: 10.1039/C5Sm00631G  1
2015 Hemmen A, Panagiotopoulos AZ, Gross J. Grand Canonical Monte Carlo Simulations Guided by an Analytic Equation of State-Transferable Anisotropic Mie Potentials for Ethers. The Journal of Physical Chemistry. B. 119: 7087-99. PMID 25961429 DOI: 10.1021/Acs.Jpcb.5B01806  1
2015 Bianchi E, Panagiotopoulos AZ, Nikoubashman A. Self-assembly of Janus particles under shear. Soft Matter. 11: 3767-71. PMID 25804835 DOI: 10.1039/C5Sm00281H  1
2015 Koch C, Panagiotopoulos AZ, Lo Verso F, Likos CN. Customizing wormlike mesoscale structures via self-assembly of amphiphilic star polymers. Soft Matter. 11: 3530-5. PMID 25790108 DOI: 10.1039/C5Sm00219B  1
2015 Mahynski NA, Panagiotopoulos AZ. Grafted nanoparticles as soft patchy colloids: self-assembly versus phase separation. The Journal of Chemical Physics. 142: 074901. PMID 25702025 DOI: 10.1063/1.4908044  1
2015 Chen H, Panagiotopoulos AZ, Giannelis EP. Atomistic molecular dynamics simulations of carbohydrate-calcite interactions in concentrated brine. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 2407-13. PMID 25665050 DOI: 10.1021/La504595G  1
2015 Mester Z, Panagiotopoulos AZ. Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulations. The Journal of Chemical Physics. 142: 044507. PMID 25637995 DOI: 10.1063/1.4906320  1
2015 Mahynski NA, Kumar SK, Panagiotopoulos AZ. Relative stability of the FCC and HCP polymorphs with interacting polymers. Soft Matter. 11: 280-9. PMID 25408554 DOI: 10.1039/C4Sm02191F  1
2015 Jusufi A, Panagiotopoulos AZ. Explicit- and implicit-solvent simulations of micellization in surfactant solutions. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 3283-92. PMID 25226280 DOI: 10.1021/La502227V  1
2015 Moultos OA, Orozco GA, Tsimpanogiannis IN, Panagiotopoulos AZ, Economou IG. Atomistic molecular dynamics simulations of H2O diffusivity in liquid and supercritical CO2 Molecular Physics. DOI: 10.1080/00268976.2015.1023224  1
2015 Jiang H, Mester Z, Moultos OA, Economou IG, Panagiotopoulos AZ. Thermodynamic and Transport Properties of H2O + NaCl from Polarizable Force Fields Journal of Chemical Theory and Computation. 11: 3802-3810. DOI: 10.1021/acs.jctc.5b00421  1
2015 Moultos OA, Tsimpanogiannis IN, Panagiotopoulos AZ, Economou IG. Self-diffusion coefficients of the binary (H2O+CO2) mixture at high temperatures and pressures Journal of Chemical Thermodynamics. DOI: 10.1016/J.Jct.2015.04.007  1
2015 Tsai ES, Jiang H, Panagiotopoulos AZ. Monte Carlo simulations of H2O-CaCl2 and H2O-CaCl2-CO2 mixtures Fluid Phase Equilibria. DOI: 10.1016/J.Fluid.2015.05.036  1
2015 Chen M, Vella JR, Panagiotopoulos AZ, Debenedetti PG, Stillinger FH, Carter EA. Liquid li structure and dynamics: A comparison between OFDFT and second nearest-neighbor embedded-atom method Aiche Journal. DOI: 10.1002/Aic.14795  1
2014 Orozco GA, Moultos OA, Jiang H, Economou IG, Panagiotopoulos AZ. Molecular simulation of thermodynamic and transport properties for the H2O+NaCl system. The Journal of Chemical Physics. 141: 234507. PMID 25527948 DOI: 10.1063/1.4903928  1
2014 Daly KB, Panagiotopoulos AZ, Debenedetti PG, Benziger JB. Viscosity of Nafion oligomers as a function of hydration and counterion type: a molecular dynamics study. The Journal of Physical Chemistry. B. 118: 13981-91. PMID 25390642 DOI: 10.1021/Jp509061Z  1
2014 Orozco GA, Economou IG, Panagiotopoulos AZ. Optimization of intermolecular potential parameters for the CO2/H2O mixture. The Journal of Physical Chemistry. B. 118: 11504-11. PMID 25198539 DOI: 10.1021/Jp5067023  1
2014 Vella JR, Stillinger FH, Panagiotopoulos AZ, Debenedetti PG. A Comparison of the Predictive Capabilities of the Embedded-Atom Method and Modified Embedded-Atom Method Potentials for Lithium. The Journal of Physical Chemistry. B. PMID 25192474 DOI: 10.1021/Jp5077752  1
2014 Nikoubashman A, Panagiotopoulos AZ. Communication: Effect of solvophobic block length on critical micelle concentration in model surfactant systems. The Journal of Chemical Physics. 141: 041101. PMID 25084867 DOI: 10.1063/1.4890981  1
2014 Mahynski NA, Panagiotopoulos AZ, Meng D, Kumar SK. Stabilizing colloidal crystals by leveraging void distributions. Nature Communications. 5: 4472. PMID 25042207 DOI: 10.1038/Ncomms5472  1
2014 Daly KB, Benziger JB, Panagiotopoulos AZ, Debenedetti PG. Molecular dynamics simulations of water permeation across Nafion membrane interfaces. The Journal of Physical Chemistry. B. 118: 8798-807. PMID 24971638 DOI: 10.1021/Jp5024718  1
2014 Palmer JC, Martelli F, Liu Y, Car R, Panagiotopoulos AZ, Debenedetti PG. Metastable liquid-liquid transition in a molecular model of water. Nature. 510: 385-8. PMID 24943954 DOI: 10.1038/Nature13405  1
2014 Lafitte T, Kumar SK, Panagiotopoulos AZ. Self-assembly of polymer-grafted nanoparticles in thin films. Soft Matter. 10: 786-94. PMID 24834986 DOI: 10.1039/C3Sm52328D  1
2014 Moultos OA, Tsimpanogiannis IN, Panagiotopoulos AZ, Economou IG. Atomistic molecular dynamics simulations of CO₂ diffusivity in H₂O for a wide range of temperatures and pressures. The Journal of Physical Chemistry. B. 118: 5532-41. PMID 24749622 DOI: 10.1021/Jp502380R  1
2014 Nikoubashman A, Mahynski NA, Pirayandeh AH, Panagiotopoulos AZ. Flow-induced demixing of polymer-colloid mixtures in microfluidic channels. The Journal of Chemical Physics. 140: 094903. PMID 24606378 DOI: 10.1063/1.4866762  1
2014 Chremos A, Nikoubashman A, Panagiotopoulos AZ. Flory-Huggins parameter χ, from binary mixtures of Lennard-Jones particles to block copolymer melts. The Journal of Chemical Physics. 140: 054909. PMID 24511981 DOI: 10.1063/1.4863331  1
2014 Hong B, Panagiotopoulos AZ. Atomistic simulation of CO 2 solubility in poly(ethylene oxide) oligomers Molecular Physics. 112: 1540-1547. DOI: 10.1080/00268976.2013.842660  1
2014 Nikoubashman A, Register RA, Panagiotopoulos AZ. Sequential domain realignment driven by conformational asymmetry in block copolymer thin films Macromolecules. 47: 1193-1198. DOI: 10.1021/Ma402526Q  1
2013 Daly KB, Benziger JB, Debenedetti PG, Panagiotopoulos AZ. Molecular dynamics simulations of water sorption in a perfluorosulfonic acid membrane. The Journal of Physical Chemistry. B. 117: 12649-60. PMID 24053430 DOI: 10.1021/Jp405440R  1
2013 Storm S, Jakobtorweihen S, Smirnova I, Panagiotopoulos AZ. Molecular dynamics simulation of SDS and CTAB micellization and prediction of partition equilibria with COSMOmic. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 11582-92. PMID 23941607 DOI: 10.1021/La402415B  1
2013 Mahynski NA, Panagiotopoulos AZ. Phase behavior of athermal colloid-star polymer mixtures. The Journal of Chemical Physics. 139: 024907. PMID 23862965 DOI: 10.1063/1.4811393  1
2013 Mahynski NA, Irick B, Panagiotopoulos AZ. Structure of phase-separated athermal colloid-polymer systems in the protein limit. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 87: 022309. PMID 23496518 DOI: 10.1103/Physreve.87.022309  1
2013 Nikoubashman A, Register RA, Panagiotopoulos AZ. Simulations of shear-induced morphological transitions in block copolymers Soft Matter. 9: 9960-9971. DOI: 10.1039/C3Sm51759D  1
2013 Koch C, Panagiotopoulos AZ, Lo Verso F, Likos CN. Phase behavior of rigid, amphiphilic star polymers Soft Matter. 9: 7424-7436. DOI: 10.1039/C3Sm51135A  1
2013 Hong B, Panagiotopoulos AZ. Diffusivities, viscosities, and conductivities of solvent-free ionically grafted nanoparticles Soft Matter. 9: 6091-6102. DOI: 10.1039/C3Sm50832C  1
2013 Nikoubashman A, Register RA, Panagiotopoulos AZ. Self-assembly of cylinder-forming diblock copolymer thin films Macromolecules. 46: 6651-6658. DOI: 10.1021/Ma400867S  1
2013 Liu Y, Lafitte T, Panagiotopoulos AZ, Debenedetti PG. Simulations of vapor-liquid phase equilibrium and interfacial tension in the CO2-H2O-NaCl system Aiche Journal. 59: 3514-3522. DOI: 10.1002/Aic.14042  1
2012 Liu Y, Palmer JC, Panagiotopoulos AZ, Debenedetti PG. Liquid-liquid transition in ST2 water. The Journal of Chemical Physics. 137: 214505. PMID 23231249 DOI: 10.1063/1.4769126  1
2012 Barr SA, Panagiotopoulos AZ. Conformational transitions of weak polyacids grafted to nanoparticles. The Journal of Chemical Physics. 137: 144704. PMID 23061858 DOI: 10.1063/1.4757284  1
2012 Ferguson AL, Giovambattista N, Rossky PJ, Panagiotopoulos AZ, Debenedetti PG. A computational investigation of the phase behavior and capillary sublimation of water confined between nanoscale hydrophobic plates. The Journal of Chemical Physics. 137: 144501. PMID 23061849 DOI: 10.1063/1.4755750  1
2012 Barr SA, Panagiotopoulos AZ. Grand-canonical Monte Carlo method for Donnan equilibria. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 86: 016703. PMID 23005559 DOI: 10.1103/Physreve.86.016703  1
2012 Mahynski NA, Lafitte T, Panagiotopoulos AZ. Pressure and density scaling for colloid-polymer systems in the protein limit. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 85: 051402. PMID 23004756 DOI: 10.1103/Physreve.85.051402  1
2012 Hong B, Chremos A, Panagiotopoulos AZ. Dynamics in coarse-grained models for oligomer-grafted silica nanoparticles. The Journal of Chemical Physics. 136: 204904. PMID 22667588 DOI: 10.1063/1.4719957  1
2012 Hong B, Chremos A, Panagiotopoulos AZ. Simulations of the structure and dynamics of nanoparticle-based ionic liquids. Faraday Discussions. 154: 29-40; discussion 81. PMID 22455012 DOI: 10.1039/C1Fd00076D  1
2012 Chremos A, Panagiotopoulos AZ, Koch DL. Dynamics of solvent-free grafted nanoparticles. The Journal of Chemical Physics. 136: 044902. PMID 22299914 DOI: 10.1063/1.3679442  1
2012 Sanders SA, Sammalkorpi M, Panagiotopoulos AZ. Atomistic simulations of micellization of sodium hexyl, heptyl, octyl, and nonyl sulfates. The Journal of Physical Chemistry. B. 116: 2430-7. PMID 22292893 DOI: 10.1021/Jp209207P  1
2012 Hong B, Panagiotopoulos AZ. Molecular dynamics simulations of silica nanoparticles grafted with poly(ethylene oxide) oligomer chains. The Journal of Physical Chemistry. B. 116: 2385-95. PMID 22243140 DOI: 10.1021/Jp2112582  1
2012 Chremos A, Chaikin PM, Register RA, Panagiotopoulos AZ. Shear-induced alignment of lamellae in thin films of diblock copolymers Soft Matter. 8: 7803-7811. DOI: 10.1039/C2Sm25592H  1
2012 Lebard DN, Levine BG, Mertmann P, Barr SA, Jusufi A, Sanders S, Klein ML, Panagiotopoulos AZ. Self-assembly of coarse-grained ionic surfactants accelerated by graphics processing units Soft Matter. 8: 2385-2397. DOI: 10.1039/C1Sm06787G  1
2012 Chremos A, Chaikin PM, Register RA, Panagiotopoulos AZ. Sphere-to-cylinder transitions in thin films of diblock copolymers under shear: The role of wetting layers Macromolecules. 45: 4406-4415. DOI: 10.1021/Ma300382V  1
2012 Daly KB, Benziger JB, Debenedetti PG, Panagiotopoulos AZ. Massively parallel chemical potential calculation on graphics processing units Computer Physics Communications. 183: 2054-2062. DOI: 10.1016/J.Cpc.2012.05.006  1
2011 Spaeth JR, Kevrekidis IG, Panagiotopoulos AZ. Dissipative particle dynamics simulations of polymer-protected nanoparticle self-assembly. The Journal of Chemical Physics. 135: 184903. PMID 22088077 DOI: 10.1063/1.3653379  1
2011 Chremos A, Panagiotopoulos AZ. Structural transitions of solvent-free oligomer-grafted nanoparticles. Physical Review Letters. 107: 105503. PMID 21981510 DOI: 10.1103/Physrevlett.107.105503  1
2011 Chremos A, Panagiotopoulos AZ, Yu HY, Koch DL. Structure of solvent-free grafted nanoparticles: molecular dynamics and density-functional theory. The Journal of Chemical Physics. 135: 114901. PMID 21950881 DOI: 10.1063/1.3638179  1
2011 Barr SA, Panagiotopoulos AZ. Interactions between charged surfaces with ionizable sites. Langmuir : the Acs Journal of Surfaces and Colloids. 27: 8761-6. PMID 21644585 DOI: 10.1021/La201353U  1
2011 Araque JC, Panagiotopoulos AZ, Robert MA. Lattice model of oligonucleotide hybridization in solution. I. Model and thermodynamics. The Journal of Chemical Physics. 134: 165103. PMID 21528982 DOI: 10.1063/1.3568145  1
2011 Spaeth JR, Kevrekidis IG, Panagiotopoulos AZ. A comparison of implicit- and explicit-solvent simulations of self-assembly in block copolymer and solute systems. The Journal of Chemical Physics. 134: 164902. PMID 21528979 DOI: 10.1063/1.3580293  1
2011 Liu Y, Panagiotopoulos AZ, Debenedetti PG. Monte Carlo simulations of high-pressure phase equilibria of CO2-H2O mixtures. The Journal of Physical Chemistry. B. 115: 6629-35. PMID 21528884 DOI: 10.1021/Jp201520U  1
2011 Ferguson AL, Panagiotopoulos AZ, Debenedetti PG, Kevrekidis IG. Integrating diffusion maps with umbrella sampling: application to alanine dipeptide. The Journal of Chemical Physics. 134: 135103. PMID 21476776 DOI: 10.1063/1.3574394  1
2011 Sammalkorpi M, Sanders S, Panagiotopoulos AZ, Karttunen M, Haataja M. Simulations of micellization of sodium hexyl sulfate. The Journal of Physical Chemistry. B. 115: 1403-10. PMID 21271698 DOI: 10.1021/Jp109882R  1
2011 Jusufi A, Sanders S, Klein ML, Panagiotopoulos AZ. Implicit-solvent models for micellization: nonionic surfactants and temperature-dependent properties. The Journal of Physical Chemistry. B. 115: 990-1001. PMID 21218830 DOI: 10.1021/Jp108107F  1
2011 Koch C, Likos CN, Panagiotopoulos AZ, Lo Verso F. Self-assembly scenarios of block copolymer stars Molecular Physics. 109: 3049-3060. DOI: 10.1080/00268976.2011.627385  1
2011 Spaeth JR, Dale T, Kevrekidis IG, Panagiotopoulos AZ. Coarse-graining of chain models in dissipative particle dynamics simulations Industrial and Engineering Chemistry Research. 50: 69-77. DOI: 10.1021/Ie100337R  1
2011 Ferguson AL, Panagiotopoulos AZ, Kevrekidis IG, Debenedetti PG. Nonlinear dimensionality reduction in molecular simulation: The diffusion map approach Chemical Physics Letters. 509: 1-11. DOI: 10.1016/J.Cplett.2011.04.066  1
2011 Tom JW, Panagiotopoulos AZ, Register RA. Pablo G. Debenedetti of Princeton university Chemical Engineering Education. 45: 158-164.  1
2010 Ferguson AL, Zhang S, Dikiy I, Panagiotopoulos AZ, Debenedetti PG, James Link A. An experimental and computational investigation of spontaneous lasso formation in microcin J25. Biophysical Journal. 99: 3056-65. PMID 21044604 DOI: 10.1016/J.Bpj.2010.08.073  1
2010 Ferguson AL, Panagiotopoulos AZ, Debenedetti PG, Kevrekidis IG. Systematic determination of order parameters for chain dynamics using diffusion maps. Proceedings of the National Academy of Sciences of the United States of America. 107: 13597-602. PMID 20643962 DOI: 10.1073/Pnas.1003293107  1
2010 Liu Y, Panagiotopoulos AZ, Debenedetti PG. Finite-size scaling study of the vapor-liquid critical properties of confined fluids: Crossover from three dimensions to two dimensions. The Journal of Chemical Physics. 132: 144107. PMID 20405985 DOI: 10.1063/1.3377089  1
2010 Sanders SA, Panagiotopoulos AZ. Micellization behavior of coarse grained surfactant models. The Journal of Chemical Physics. 132: 114902. PMID 20331315 DOI: 10.1063/1.3358354  1
2010 Lo Verso F, Panagiotopoulos AZ, Likos CN. Phase behavior of low-functionality, telechelic star block copolymers. Faraday Discussions. 144: 143-57; discussion 2. PMID 20158027 DOI: 10.1039/B905073F  1
2010 Chremos A, Margaritis K, Panagiotopoulos AZ. Ultra thin films of diblock copolymers under shear Soft Matter. 6: 3588-3595. DOI: 10.1039/C003198D  1
2010 Hong B, Escobedo F, Panagiotopoulos AZ. Diffusivities and viscosities of poly(ethylene oxide) oligomers Journal of Chemical and Engineering Data. 55: 4273-4280. DOI: 10.1021/Je100430Q  1
2009 Hynninen AP, Panagiotopoulos AZ. Phase diagrams of charged colloids from thermodynamic integration. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 465104. PMID 21715902 DOI: 10.1088/0953-8984/21/46/465104  1
2009 Panagiotopoulos AZ. Charge correlation effects on ionization of weak polyelectrolytes. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 424113. PMID 21715848 DOI: 10.1088/0953-8984/21/42/424113  1
2009 Pryamtisyn V, Ganesan V, Panagiotopoulos AZ, Liu H, Kumar SK. Modeling the anisotropic self-assembly of spherical polymer-grafted nanoparticles. The Journal of Chemical Physics. 131: 221102. PMID 20001014 DOI: 10.1063/1.3267729  1
2009 Davis JR, Panagiotopoulos AZ. Orientational bonding model for temperature dependent micellization and solubility of diblock surfactants. The Journal of Chemical Physics. 131: 114901. PMID 19778143 DOI: 10.1063/1.3227905  1
2009 Chen T, D'Addio SM, Kennedy MT, Swietlow A, Kevrekidis IG, Panagiotopoulos AZ, Prud'homme RK. Protected peptide nanoparticles: experiments and brownian dynamics simulations of the energetics of assembly. Nano Letters. 9: 2218-22. PMID 19413305 DOI: 10.1021/Nl803205C  1
2009 Ferguson AL, Debenedetti PG, Panagiotopoulos AZ. Solubility and molecular conformations of n-alkane chains in water. The Journal of Physical Chemistry. B. 113: 6405-14. PMID 19361179 DOI: 10.1021/Jp811229Q  1
2009 Akcora P, Liu H, Kumar SK, Moll J, Li Y, Benicewicz BC, Schadler LS, Acehan D, Panagiotopoulos AZ, Pryamitsyn V, Ganesan V, Ilavsky J, Thiyagarajan P, Colby RH, Douglas JF. Anisotropic self-assembly of spherical polymer-grafted nanoparticles. Nature Materials. 8: 354-9. PMID 19305399 DOI: 10.1038/Nmat2404  1
2009 Lo Verso F, Panagiotopoulos AZ, Likos CN. Aggregation phenomena in telechelic star polymer solutions. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 010401. PMID 19256991 DOI: 10.1103/Physreve.79.010401  1
2009 Davis JR, Panagiotopoulos AZ. Micellization and phase separation in binary amphiphile mixtures Molecular Physics. 107: 2359-2366. DOI: 10.1080/00268970903279017  1
2009 Liu Y, Panagiotopoulos AZ, Debenedetti PG. Low-temperature fluid-phase behavior of ST2 water Journal of Chemical Physics. 131. DOI: 10.1063/1.3229892  1
2008 Chen T, Hynninen AP, Prud'homme RK, Kevrekidis IG, Panagiotopoulos AZ. Coarse-grained simulations of rapid assembly kinetics for polystyrene-b-poly(ethylene oxide) copolymers in aqueous solutions. The Journal of Physical Chemistry. B. 112: 16357-66. PMID 19367859 DOI: 10.1021/Jp805826A  1
2008 Davis JR, Panagiotopoulos AZ. Monte Carlo simulations of amphiphilic nanoparticle self-assembly. The Journal of Chemical Physics. 129: 194706. PMID 19026080 DOI: 10.1063/1.3009183  1
2008 Jusufi A, Hynninen AP, Panagiotopoulos AZ. Implicit solvent models for micellization of ionic surfactants. The Journal of Physical Chemistry. B. 112: 13783-92. PMID 18844395 DOI: 10.1021/Jp8043225  1
2008 Sammalkorpi M, Panagiotopoulos AZ, Haataja M. Surfactant and hydrocarbon aggregates on defective graphite surface: structure and dynamics. The Journal of Physical Chemistry. B. 112: 12954-61. PMID 18811186 DOI: 10.1021/Jp8043835  1
2008 Gindy ME, Ji S, Hoye TR, Panagiotopoulos AZ, Prud'homme RK. Preparation of poly(ethylene glycol) protected nanoparticles with variable bioconjugate ligand density. Biomacromolecules. 9: 2705-11. PMID 18759476 DOI: 10.1021/Bm8002013  1
2008 Gindy ME, Prud'homme RK, Panagiotopoulos AZ. Phase behavior and structure formation in linear multiblock copolymer solutions by Monte Carlo simulation. The Journal of Chemical Physics. 128: 164906. PMID 18447499 DOI: 10.1063/1.2905231  1
2008 Sammalkorpi M, Panagiotopoulos AZ, Haataja M. Structure and dynamics of surfactant and hydrocarbon aggregates on graphite: a molecular dynamics simulation study. The Journal of Physical Chemistry. B. 112: 2915-21. PMID 18278898 DOI: 10.1021/Jp077636Y  1
2008 Gindy ME, Panagiotopoulos AZ, Prud'homme RK. Composite block copolymer stabilized nanoparticles: simultaneous encapsulation of organic actives and inorganic nanostructures. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 83-90. PMID 18044945 DOI: 10.1021/La702902B  1
2008 Hynninen AP, Panagiotopoulos AZ. Simulations of phase transitions and free energies for ionic systems Molecular Physics. 106: 2039-2051. DOI: 10.1080/00268970802112160  1
2008 Sanders SA, Panagiotopoulos AZ. Analysis of molecular dynamics simulations of the self-assembly of coarse grained surfactant models Aiche Annual Meeting, Conference Proceedings 1
2007 Hynninen AP, Panagiotopoulos AZ. Disappearance of the gas-liquid phase transition for highly charged colloids. Physical Review Letters. 98: 198301. PMID 17677666 DOI: 10.1103/PhysRevLett.98.198301  1
2007 Hehmeyer OJ, Arya G, Panagiotopoulos AZ, Szleifer I. Monte Carlo simulation and molecular theory of tethered polyelectrolytes. The Journal of Chemical Physics. 126: 244902. PMID 17614585 DOI: 10.1063/1.2747600  1
2007 Lenart PJ, Jusufi A, Panagiotopoulos AZ. Effective potentials for 1:1 electrolyte solutions incorporating dielectric saturation and repulsive hydration. The Journal of Chemical Physics. 126: 044509. PMID 17286489 DOI: 10.1063/1.2431169  1
2007 Shell MS, Panagiotopoulos A, Pohorille A. Methods based on probability distributions and histograms Springer Series in Chemical Physics. 86: 77-118. DOI: 10.1007/978-3-540-38448-9_3  1
2007 Shell MS, Panagiotopoulos A. Methods for examining phase equilibria Springer Series in Chemical Physics. 86: 353-387. DOI: 10.1007/978-3-540-38448-9_10  1
2006 Lenart PJ, Panagiotopoulos AZ. Tracing the critical loci of binary fluid mixtures using molecular simulation. The Journal of Physical Chemistry. B. 110: 17200-6. PMID 16928018 DOI: 10.1021/Jp0630931  1
2006 Hynninen AP, Panagiotopoulos AZ, Rechtsman MC, Stillinger FH, Torquato S. Global phase diagram for the honeycomb potential. The Journal of Chemical Physics. 125: 24505. PMID 16848590 DOI: 10.1063/1.2213611  1
2006 Firetto V, Floriano MA, Panagiotopoulos AZ. Effect of stiffness on the micellization behavior of model H4T4 surfactant chains. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 6514-22. PMID 16830992 DOI: 10.1021/La060386C  1
2006 Diehl A, Panagiotopoulos AZ. Phase behavior of the lattice restricted primitive model with nearest neighbor exclusion. The Journal of Chemical Physics. 124: 194509. PMID 16729827 DOI: 10.1063/1.2192498  1
2006 Cheong DW, Panagiotopoulos AZ. Monte carlo simulations of micellization in model ionic surfactants: application to sodium dodecyl sulfate. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 4076-83. PMID 16618147 DOI: 10.1021/La053511D  1
2006 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Computational characterization of the sequence landscape in simple protein alphabets. Proteins. 62: 232-43. PMID 16284961 DOI: 10.1002/Prot.20714  1
2006 Rissanou AN, Economou IG, Panagiotopoulos AZ. Monte Carlo simulation of the phase behavior of model dendrimers Macromolecules. 39: 6298-6305. DOI: 10.1021/Ma061339U  1
2006 Lenart PJ, Panagiotopoulos AZ. Phase behavior of binary stockmayer and polarizable lennard-jones fluid mixtures using adiabatic nuclear and electronic sampling Industrial and Engineering Chemistry Research. 45: 6929-6938. DOI: 10.1021/Ie051302I  1
2006 Davis JR, Piccarreta MV, Rauch RB, Vanderlick TK, Panagiotopoulos AZ. Phase behavior of rigid objects on a cubic lattice Industrial and Engineering Chemistry Research. 45: 5421-5425. DOI: 10.1021/Ie051041C  1
2006 Chou CY, Vo TTM, Panagiotopoulos AZ, Robert M. Computer simulations of phase transitions of bulk and confined colloid-polymer systems Physica a: Statistical Mechanics and Its Applications. 369: 275-290. DOI: 10.1016/J.Physa.2006.01.079  1
2006 Scott Shell M, Debenedetti PG, Panagiotopoulos AZ. A conformal solution theory for the energy landscape and glass transition of mixtures Fluid Phase Equilibria. 241: 147-154. DOI: 10.1016/J.Fluid.2005.11.002  1
2005 Kim YC, Fisher ME, Panagiotopoulos AZ. Universality of ionic criticality: size- and charge-asymmetric electrolytes. Physical Review Letters. 95: 195703. PMID 16383996 DOI: 10.1103/Physrevlett.95.195703  1
2005 Arya G, Panagiotopoulos AZ. Log-rolling micelles in sheared amphiphilic thin films. Physical Review Letters. 95: 188301. PMID 16383952 DOI: 10.1103/Physrevlett.95.188301  1
2005 Arya G, Rottler J, Panagiotopoulos AZ, Srolovitz DJ, Chaikin PM. Shear ordering in thin films of spherical block copolymer. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 11518-27. PMID 16285835 DOI: 10.1021/La0516476  1
2005 Panagiotopoulos AZ. Thermodynamic properties of lattice hard-sphere models. The Journal of Chemical Physics. 123: 104504. PMID 16178607 DOI: 10.1063/1.2008253  1
2005 Hynninen AP, Dijkstra M, Panagiotopoulos AZ. Critical point of electrolyte mixtures. The Journal of Chemical Physics. 123: 084903. PMID 16164326 DOI: 10.1063/1.1979490  1
2005 Diehl A, Panagiotopoulos AZ. Phase diagrams in the lattice restricted primitive model: from order-disorder to gas-liquid phase transition. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 046118. PMID 15903737 DOI: 10.1103/Physreve.71.046118  1
2005 Kopelevich DI, Panagiotopoulos AZ, Kevrekidis IG. Coarse-grained kinetic computations for rare events: application to micelle formation. The Journal of Chemical Physics. 122: 44908. PMID 15740299 DOI: 10.1063/1.1839174  1
2005 Kopelevich DI, Panagiotopoulos AZ, Kevrekidis IG. Coarse-grained computations for a micellar system. The Journal of Chemical Physics. 122: 44907. PMID 15740298 DOI: 10.1063/1.1839173  1
2005 Panagiotopoulos AZ. Simulations of phase transitions in ionic systems Journal of Physics Condensed Matter. 17: S3205-S3213. DOI: 10.1088/0953-8984/17/45/003  1
2005 Cheong DW, Panagiotopoulos AZ. Phase behaviour of polyampholyte chains from grand canonical Monte Carlo simulations Molecular Physics. 103: 3031-3044. DOI: 10.1080/00268970500186045  1
2005 Arya G, Panagiotopoulos AZ. Impact of branching on the phase behavior of polymers Macromolecules. 38: 10596-10604. DOI: 10.1021/Ma0515376  1
2005 Floriano MA, Firetto V, Panagiotopoulos AZ. Effect of stiffness on the phase behavior of cubic lattice chains Macromolecules. 38: 2475-2481. DOI: 10.1021/Ma047671S  1
2005 Arya G, Panagiotopoulos AZ. Molecular modeling of shear-induced alignment of cylindrical micelles Computer Physics Communications. 169: 262-266. DOI: 10.1016/J.Cpc.2005.03.060  1
2005 Davis JR, Vanderlick TK, Panagiotopoulos AZ. Self-assembly and phase behavior of model nanoparticles with attached chains Aiche Annual Meeting, Conference Proceedings. 10545.  1
2005 Hehmeyer OJ, Arya G, Panagiotopoulos AZ. Monte Carlo simulations and self-consistent mean field theory of polyelectrolyte brushes Aiche Annual Meeting, Conference Proceedings. 5057.  1
2005 Lenart PJ, Panagiotopoulos AZ. Tracing the critical locus for binary fluid mixtures using molecular simulations Aiche Annual Meeting, Conference Proceedings. 483.  1
2005 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Characterization of protein sequence landscapes using flat-histogram Monte Carlo algorithms Aiche Annual Meeting, Conference Proceedings. 10511.  1
2005 Lenart PJ, Panagiotopoulos AZ. Tracing the critical locus for binary fluid mixtures using molecular simulations Aiche Annual Meeting, Conference Proceedings. 483.  1
2004 Arya G, Panagiotopoulos AZ. Monte Carlo study of shear-induced alignment of cylindrical micelles in thin films. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 70: 031501. PMID 15524524 DOI: 10.1103/Physreve.70.031501  1
2004 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Saddles in the energy landscape: extensivity and thermodynamic formalism. Physical Review Letters. 92: 035506. PMID 14753888 DOI: 10.1103/Physrevlett.92.035506  1
2004 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Flat-histogram dynamics and optimization in density of states simulations of fluids Journal of Physical Chemistry B. 108: 19748-19755. DOI: 10.1021/Jp047677J  1
2004 Hehmeyer OJ, Arya G, Panagiotopoulos AZ. Phase transitions of confined lattice homopolymers Journal of Physical Chemistry B. 108: 6809-6815. DOI: 10.1021/Jp037599K  1
2004 Vorholz J, Harismiadis VI, Panagiotopoulos AZ, Rumpf B, Maurer G. Molecular simulation of the solubility of carbon dioxide in aqueous solutions of sodium chloride Fluid Phase Equilibria. 226: 237-250. DOI: 10.1016/J.Fluid.2004.09.009  1
2004 Lock CS, Moghaddam S, Panagiotopoulos AZ. Finely discretized lattice simulations of SPC/E water Fluid Phase Equilibria. 222: 225-230. DOI: 10.1016/J.Fluid.2004.06.019  1
2004 Moghaddam S, Panagiotopoulos AZ. Determination of second virial coefficients by grand canonical Monte Carlo simulations Fluid Phase Equilibria. 222: 221-224. DOI: 10.1016/J.Fluid.2004.06.018  1
2003 Kobelev V, Kolomeisky AB, Panagiotopoulos AZ. Thermodynamics of electrolytes on anisotropic lattices. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 066110. PMID 14754272 DOI: 10.1103/Physreve.68.066110  1
2003 Orkoulas G, Kumar SK, Panagiotopoulos AZ. Monte carlo study of coulombic criticality in polyelectrolytes. Physical Review Letters. 90: 048303. PMID 12570467 DOI: 10.1103/Physrevlett.90.048303  1
2003 Lísal M, Hall CK, Gubbins KE, Panagiotopoulos AZ. Formation of spherical micelles in a supercritical solvent: Lattice Monte Carlo simulation and multicomponent solution model Molecular Simulation. 29: 139-157. DOI: 10.1080/0892702031000065809  1
2003 Suleimenov OM, Panagiotopoulos AZ, Seward TM. Grand canonical Monte Carlo simulations of phase equilibria of pure silicon tetrachloride and its binary mixture with carbon dioxide Molecular Physics. 101: 3213-3221. DOI: 10.1080/00268970310001624524  1
2003 Shell MS, Debenedetti PG, Panagiotopoulos AZ. An improved Monte Carlo method for direct calculation of the density of states Journal of Chemical Physics. 119: 9406-9411. DOI: 10.1063/1.1615966  1
2003 Cheong DW, Panagiotopoulos AZ. Critical parameters of unrestricted primitive model electrolytes with charge asymmetries up to 10:1 Journal of Chemical Physics. 119: 8526-8536. DOI: 10.1063/1.1612473  1
2003 Moghaddam S, Panagiotopoulos AZ. Lattice discretization effects on the critical parameters of model nonpolar and polar fluids Journal of Chemical Physics. 118: 7556-7560. DOI: 10.1063/1.1562613  1
2003 Diehl A, Panagiotopoulos AZ. Phase transitions and tricriticality in the lattice restricted primitive model supplemented by short-range interactions Journal of Chemical Physics. 118: 4993-4998. DOI: 10.1063/1.1545095  1
2003 Salaniwal S, Kumar SK, Panagiotopoulos AZ. Competing ranges of attractive and repulsive interactions in the micellization of model surfactants Langmuir. 19: 5164-5168. DOI: 10.1021/La026076L  1
2002 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Generalization of the Wang-Landau method for off-lattice simulations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 66: 056703. PMID 12513633 DOI: 10.1103/Physreve.66.056703  1
2002 Romero-Enrique JM, Rull LF, Panagiotopoulos AZ. Dipolar origin of the gas-liquid coexistence of the hard-core 1:1 electrolyte model. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 66: 041204. PMID 12443188 DOI: 10.1103/Physreve.66.041204  1
2002 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Molecular structural order and anomalies in liquid silica. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 66: 011202. PMID 12241346 DOI: 10.1103/Physreve.66.011202  1
2002 Luijten E, Fisher ME, Panagiotopoulos AZ. Universality class of criticality in the restricted primitive model electrolyte. Physical Review Letters. 88: 185701. PMID 12005698 DOI: 10.1103/Physrevlett.88.185701  1
2002 Panagiotopoulos AZ, Fisher ME. Phase transitions in 2:1 and 3:1 hard-core model electrolytes. Physical Review Letters. 88: 045701. PMID 11801139 DOI: 10.1103/Physrevlett.88.045701  1
2002 Kim SY, Panagiotopoulos AZ, Floriano MA. Ternary oil-water-amphiphile systems: Self-assembly and phase equilibria Molecular Physics. 100: 2213-2220. DOI: 10.1080/00268970210125331  1
2002 Makeev AG, Maroudas D, Panagiotopoulos AZ, Kevrekidis IG. Coarse bifurcation analysis of kinetic Monte Carlo simulations: A lattice-gas model with lateral interactions Journal of Chemical Physics. 117: 8229-8240. DOI: 10.1063/1.1512274  1
2002 Dang LX, Chang TM, Panagiotopoulos AZ. Gibbs ensemble Monte Carlo simulations of coexistence properties of a polarizable potential model of water Journal of Chemical Physics. 117: 3522-3523. DOI: 10.1063/1.1493190  1
2002 Panagiotopoulos AZ. Critical parameters of the restricted primitive model Journal of Chemical Physics. 116: 3007-3011. DOI: 10.1063/1.1435571  1
2002 Lísal M, Hall CK, Gubbins KE, Panagiotopoulos AZ. Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations Journal of Chemical Physics. 116: 1171-1184. DOI: 10.1063/1.1428347  1
2002 Panagiotopoulos AZ, Florian MA, Kumar SK. Micellization and phase separation of diblock and triblock model surfactants Langmuir. 18: 2940-2948. DOI: 10.1021/La0156513  1
2002 Lísal M, Hall CK, Gubbins KE, Panagiotopoulos AZ. Micellar behavior in supercritical solvent-surfactant systems from lattice Monte Carlo simulations Fluid Phase Equilibria. 194: 233-247. DOI: 10.1016/S0378-3812(01)00721-X  1
2001 Orkoulas G, Fisher ME, Panagiotopoulos AZ. Precise simulation of criticality in asymmetric fluids. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 63: 051507. PMID 11414909 DOI: 10.1103/Physreve.63.051507  1
2001 Gilra N, Panagiotopoulos AZ, Cohen C. Monte Carlo simulations of free chains in end-linked polymer networks Journal of Chemical Physics. 115: 1100-1104. DOI: 10.1063/1.1379573  1
2001 Luijten E, Fisher ME, Panagiotopoulos AZ. The heat capacity of the restricted primitive model electrolyte Journal of Chemical Physics. 114: 5468-5471. DOI: 10.1063/1.1359769  1
2001 Indrakanti A, Maranas JK, Panagiotopoulos AZ, Kumar SK. Quantitative lattice simulations of the structure and thermodynamics of macromolecules Macromolecules. 34: 8596-8599. DOI: 10.1021/Ma011379S  1
2001 Gilra N, Cohen C, Briber RM, Bauer BJ, Hedden RC, Panagiotopoulos AZ. A SANS study of the conformational behaviour of linear chains in compressed and uncompressed end-linked elastomers Macromolecules. 34: 7773-7782. DOI: 10.1021/Ma010018+  1
2001 Gilra N, Panagiotopoulos AZ, Cohen C. Monte Carlo simulations of polymer network deformation Macromolecules. 34: 6090-6096. DOI: 10.1021/Ma0021895  1
2001 Kumar SK, Floriano MA, Panagiotopoulos AZ. Nanostructure formation and phase separation in surfactant solutions Advances in Chemical Engineering. 28: 297-311. DOI: 10.1016/S0065-2377(01)28009-0  1
2000 Romero-Enrique JM, Orkoulas G, Panagiotopoulos AZ, Fisher ME. Coexistence and criticality in size-asymmetric hard-core electrolytes Physical Review Letters. 85: 4558-61. PMID 11082595 DOI: 10.1103/Physrevlett.85.4558  1
2000 Orkoulas G, Panagiotopoulos AZ, Fisher ME. Criticality and crossover in accessible regimes Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 61: 5930-9. PMID 11031656 DOI: 10.1103/Physreve.61.5930  1
2000 Panagiotopoulos AZ. Monte Carlo methods for phase equilibria of fluids Journal of Physics Condensed Matter. 12: R25-R52. DOI: 10.1088/0953-8984/12/3/201  1
2000 Panagiotopoulos AZ. On the equivalence of continuum and lattice models for fluids Journal of Chemical Physics. 112: 7132-7137. DOI: 10.1063/1.481307  1
2000 Gilra N, Cohen C, Panagiotopoulos AZ. A Monte Carlo study of the structural properties of end-linked polymer networks Journal of Chemical Physics. 112: 6910-6916. DOI: 10.1063/1.481264  1
2000 Potoff JJ, Panagiotopoulos AZ. Surface tension of the three-dimensional Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations Journal of Chemical Physics. 112: 6411-6415. DOI: 10.1063/1.481204  1
2000 Boulougouris GC, Errington JR, Economou IG, Panagiotopoulos AZ, Theodorou DN. Molecular Simulation of Phase Equilibria for Water−n-Butane and Water−n-Hexane Mixtures Journal of Physical Chemistry B. 104: 4958-4963. DOI: 10.1021/Jp994063J  1
2000 Vorholz J, Harismiadis VI, Rumpf B, Panagiotopoulos AZ, Maurer G. Vapor+liquid equilibrium of water, carbon dioxide, and the binary system, water+carbon dioxide, from molecular simulation Fluid Phase Equilibria. 170: 203-234. DOI: 10.1016/S0378-3812(00)00315-0  1
2000 Boulougouris GC, Errington JR, Economou IG, Panagiotopoulos AZ, Theodorou DN. Molecular Simulation of Phase Equilibria for Water - N-Butane and Water - n-Hexane Mixtures Journal of Physical Chemistry B. 104: 4958-4963.  1
1999 Lee JY, Baljon ARC, Loring RF, Panagiotopoulos AZ. Modelling intercalation kinetics of polymer silicate nanocomposites Materials Research Society Symposium - Proceedings. 543: 131-135. DOI: 10.1557/Proc-543-131  1
1999 Panagiotopoulos AZ, Kumar SK. Large lattice discretization effects on the phase coexistence of ionic fluids Physical Review Letters. 83: 2981-2984. DOI: 10.1103/Physrevlett.83.2981  1
1999 Kumar SK, Panagiotopoulos AZ. Thermodynamics of reversibly associating polymer solutions Physical Review Letters. 82: 5060-5063. DOI: 10.1103/Physrevlett.82.5060  1
1999 Potoff JJ, Errington JR, Panagiotopoulos AZ. Molecular simulation of phase equilibria for mixtures of polar and non-polar components Molecular Physics. 97: 1073-1083. DOI: 10.1080/00268979909482908  1
1999 Errington JR, Panagiotopoulos AZ. New intermolecular potential models for benzene and cyclohexane Journal of Chemical Physics. 111: 9731-9738. DOI: 10.1063/1.480308  1
1999 Orkoulas G, Panagiotopoulos AZ. Phase behavior of the restricted primitive model and square-well fluids from Monte Carlo simulations in the grand canonical ensemble Journal of Chemical Physics. 110: 1581-1590. DOI: 10.1063/1.477798  1
1999 Floriano MA, Caponetti E, Panagiotopoulos AZ. Micellization in model surfactant systems Langmuir. 15: 3143-3151. DOI: 10.1021/La9810206  1
1999 Errington JR, Panagiotopoulos AZ. A new intermolecular potential model for the n-alkane homologous series Journal of Physical Chemistry B. 103: 6314-6322. DOI: 10.1021/Jp990988N  1
1998 Kiyohara K, Gubbins KE, Panagiotopoulos AZ. Phase coexistence properties of polarizable water models Molecular Physics. 94: 803-808. DOI: 10.1080/002689798167638  1
1998 Potoff JJ, Panagiotopoulos AZ. Critical point and phase behavior of the pure fluid and a Lennard-Jones mixture Journal of Chemical Physics. 109: 10914-10920. DOI: 10.1063/1.477787  1
1998 Lee JY, Baljon ARC, Loring RF, Panagiotopoulos AZ. Simulation of polymer melt intercalation in layered nanocomposites Journal of Chemical Physics. 109: 10321-10330. DOI: 10.1063/1.477687  1
1998 Errington JR, Panagiotopoulos AZ. Phase equilibria of the modified Buckingham exponential-6 potential from Hamiltonian scaling grand canonical Monte Carlo Journal of Chemical Physics. 109: 1093-1100. DOI: 10.1063/1.476652  1
1998 Panagiotopoulos AZ, Wong V, Floriano MA. Phase equilibria of lattice polymers from histogram reweighting Monte Carlo simulations Macromolecules. 31: 912-918. DOI: 10.1021/Ma971108A  1
1998 Errington JR, Panagiotopoulos AZ. A fixed point charge model for water optimized to the vapor - liquid coexistence properties Journal of Physical Chemistry B. 102: 7470-7475. DOI: 10.1021/Jp982068V  1
1998 Errington JR, Kiyohara K, Gubbins KE, Panagiotopoulos AZ. Monte Carlo simulation of high-pressure phase equilibria in aqueous systems Fluid Phase Equilibria. 150: 33-40. DOI: 10.1016/S0378-3812(98)00273-8  1
1997 Kiyohara K, Gubbins KE, Panagiotopoulos AZ. Phase coexistence properties of polarizable Stockmayer fluids Journal of Chemical Physics. 106: 3338-3347. DOI: 10.1063/1.473082  1
1997 Mackie AD, Panagiotopoulos AZ, Szleifer I. Aggregation behavior of a lattice model for amphiphiles Langmuir. 13: 5022-5028. DOI: 10.1021/La961090H  1
1996 Roberts CJ, Panagiotopoulos AZ, Debenedetti PG. Liquid-Liquid Immiscibility in Pure Fluids: Polyamorphism in Simulations of a Network-Forming Fluid. Physical Review Letters. 77: 4386-4389. PMID 10062525 DOI: 10.1103/Physrevlett.77.4386  1
1996 Harismiadis VI, Vorholz J, Panagiotopoulos AZ. Efficient pressure estimation in molecular simulations without evaluating the virial Journal of Chemical Physics. 105: 8469-8470. DOI: 10.1063/1.472721  1
1996 Orkoulas G, Panagiotopoulos AZ. Phase diagram of the two-dimensional Coulomb gas: A thermodynamic scaling Monte Carlo study Journal of Chemical Physics. 104: 7205-7209. DOI: 10.1063/1.471406  1
1996 Mackie AD, Onur K, Panagiotopoulos AZ. Phase equilibria of a lattice model for an oil–water–amphiphile mixture Journal of Chemical Physics. 104: 3718-3725. DOI: 10.1063/1.471026  0.44
1996 Mackie AD, Onur K, Panagiotopoulos AZ. Phase equilibria of a lattice model for an oil-water-amphiphile mixture Journal of Chemical Physics. 104: 3718-3725.  1
1995 Mackie AD, Panagiotopoulos AZ, Kumar SK. Monte Carlo simulations of phase equilibria for a lattice homopolymer model Journal of Chemical Physics. 102: 1014-1023. DOI: 10.1063/1.469450  0.68
1995 Tsang PC, White ON, Perigard BY, Vega LF, Panagiotopoulos AZ. Phase equilibria in ternary Lennard-Jones systems Fluid Phase Equilibria. 107: 31-43. DOI: 10.1016/0378-3812(94)02628-E  1
1994 Johnson JK, Panagiotopoulos AZ, Gubbins KE. Reactive canonical monte carlo a new simulation technique for reacting or associating fluids Molecular Physics. 81: 717-733. DOI: 10.1080/00268979400100481  1
1994 Vega LF, Panagiotopoulos AZ, Gubbins KE. Chemical potentials and adsorption isotherms of polymers confined between parallel plates Chemical Engineering Science. 49: 2921-2929. DOI: 10.1016/0009-2509(94)E0110-C  1
1993 Mackie AD, O'Toole EM, Hammer DA, Panagiotopoulos AZ. Molecular simulation of self-assembly in surfactant and protein solutions Fluid Phase Equilibria. 82: 251-260. DOI: 10.1016/0378-3812(93)87149-U  0.44
1993 Orkoulas G, Panagiotopoulos AZ. Chemical potentials in ionic systems from Monte Carlo simulations with distance-biased test particle insertions Fluid Phase Equilibria. 83: 223-231. DOI: 10.1016/0378-3812(93)87025-V  1
1992 Kumar SK, Szleifer I, Panagiotopoulos AZ. Kumar, Szleifer, and Panagiotopoulos reply. Physical Review Letters. 68: 3658. PMID 10045763 DOI: 10.1103/Physrevlett.68.3658  1
1991 Kumar SK, Szleifer I, Panagiotopoulos AZ. Determination of the chemical potentials of polymeric systems from Monte Carlo simulations. Physical Review Letters. 66: 2935-2938. PMID 10043657 DOI: 10.1103/Physrevlett.66.2935  0.68
1986 Panagiotopoulos AZ, Reid RC. Multiphase high pressure equilibria in ternary aqueous systems Fluid Phase Equilibria. 29: 525-534. DOI: 10.1016/0378-3812(86)85051-8  1
Show low-probability matches.