| Year |
Citation |
Score |
| 2023 |
Piaggi PM, Selloni A, Panagiotopoulos AZ, Car R, Debenedetti PG. A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar. Faraday Discussions. PMID 37791889 DOI: 10.1039/d3fd00100h |
0.454 |
|
| 2023 |
Panagiotopoulos AZ. Phase separation and aggregation in multiblock chains. The Journal of Chemical Physics. 158. PMID 37094002 DOI: 10.1063/5.0146673 |
0.304 |
|
| 2023 |
Gartner TE, Piaggi PM, Car R, Panagiotopoulos AZ, Debenedetti PG. Liquid-Liquid Transition in Water from First Principles. Physical Review Letters. 129: 255702. PMID 36608224 DOI: 10.1103/PhysRevLett.129.255702 |
0.509 |
|
| 2022 |
Piaggi PM, Weis J, Panagiotopoulos AZ, Debenedetti PG, Car R. Homogeneous ice nucleation in an ab initio machine-learning model of water. Proceedings of the National Academy of Sciences of the United States of America. 119: e2207294119. PMID 35939708 DOI: 10.1073/pnas.2207294119 |
0.515 |
|
| 2022 |
Weis J, Sciortino F, Panagiotopoulos AZ, Debenedetti PG. Liquid-liquid criticality in the WAIL water model. The Journal of Chemical Physics. 157: 024502. PMID 35840388 DOI: 10.1063/5.0099520 |
0.53 |
|
| 2022 |
Gartner TE, Hunter KM, Lambros E, Caruso A, Riera M, Medders GR, Panagiotopoulos AZ, Debenedetti PG, Paesani F. Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model. The Journal of Physical Chemistry Letters. 13: 3652-3658. PMID 35436129 DOI: 10.1021/acs.jpclett.2c00567 |
0.525 |
|
| 2022 |
Saravi SH, Panagiotopoulos AZ. Activity Coefficients and Solubilities of NaCl in Water-Methanol Solutions from Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 35411772 DOI: 10.1021/acs.jpcb.2c00813 |
0.307 |
|
| 2021 |
Saravi SH, Panagiotopoulos AZ. Activity coefficients of aqueous electrolytes from implicit-water molecular dynamics simulations. The Journal of Chemical Physics. 155: 184501. PMID 34773944 DOI: 10.1063/5.0064963 |
0.33 |
|
| 2021 |
Muniz MC, Gartner TE, Riera M, Knight C, Yue S, Paesani F, Panagiotopoulos AZ. Vapor-liquid equilibrium of water with the MB-pol many-body potential. The Journal of Chemical Physics. 154: 211103. PMID 34240989 DOI: 10.1063/5.0050068 |
0.334 |
|
| 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 |
0.468 |
|
| 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 |
0.548 |
|
| 2020 |
Mondal A, Young JM, Barckholtz TA, Kiss G, Koziol L, Panagiotopoulos AZ. Genetic Algorithm Driven Force Field Parameterization for Molten Alkali-Metal Carbonate and Hydroxide Salts. Journal of Chemical Theory and Computation. PMID 32709204 DOI: 10.1021/Acs.Jctc.0C00285 |
0.359 |
|
| 2020 |
Kussainova D, Mondal A, Young JM, Yue S, Panagiotopoulos AZ. Molecular simulation of liquid-vapor coexistence for NaCl: Full-charge vs scaled-charge interaction models. The Journal of Chemical Physics. 153: 024501. PMID 32668951 DOI: 10.1063/5.0012065 |
0.384 |
|
| 2020 |
Panagiotopoulos AZ. Simulations of activities, solubilities, transport properties, and nucleation rates for aqueous electrolyte solutions. The Journal of Chemical Physics. 153: 010903. PMID 32640801 DOI: 10.1063/5.0012102 |
0.434 |
|
| 2020 |
Pȩkalski J, Rządkowski W, Panagiotopoulos AZ. Shear-induced ordering in systems with competing interactions: A machine learning study. Journal of Chemical Physics. 152: 204905. PMID 32486692 DOI: 10.1063/5.0005194 |
0.316 |
|
| 2020 |
Statt A, Casademunt H, Brangwynne CP, Panagiotopoulos AZ. Model for disordered proteins with strongly sequence-dependent liquid phase behavior. The Journal of Chemical Physics. 152: 075101. PMID 32087632 DOI: 10.1063/1.5141095 |
0.356 |
|
| 2020 |
Young JM, Tietz C, Panagiotopoulos AZ. Activity Coefficients and Solubility of CaCl2 from Molecular Simulations Journal of Chemical & Engineering Data. 65: 337-348. DOI: 10.1021/Acs.Jced.9B00688 |
0.391 |
|
| 2020 |
Young JM, Mondal A, Barckholtz TA, Kiss G, Koziol L, Panagiotopoulos AZ. Predicting Chemical Reaction Equilibria in Molten Carbonate Fuel Cells via Molecular Simulations Aiche Journal. DOI: 10.1002/Aic.16988 |
0.305 |
|
| 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 |
0.623 |
|
| 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 |
0.482 |
|
| 2019 |
Li N, Nikoubashman A, Panagiotopoulos AZ. Self-assembly of polymer blends and nanoparticles through rapid solvent exchange. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30759987 DOI: 10.1021/Acs.Langmuir.8B04197 |
0.327 |
|
| 2019 |
Chen H, Panagiotopoulos AZ. Molecular Modeling of Surfactant Micellization Using Solvent Accessible Surface Area. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30624073 DOI: 10.1021/Acs.Langmuir.8B03440 |
0.433 |
|
| 2019 |
Yue S, Panagiotopoulos AZ. Dynamic properties of aqueous electrolyte solutions from non-polarisable, polarisable, and scaled-charge models Molecular Physics. 117: 3538-3549. DOI: 10.1080/00268976.2019.1645901 |
0.359 |
|
| 2019 |
Moghimi E, Chubak I, Statt A, Howard MP, Founta D, Polymeropoulos G, Ntetsikas K, Hadjichristidis N, Panagiotopoulos AZ, Likos CN, Vlassopoulos D. Self-Organization and Flow of Low-Functionality Telechelic Star Polymers with Varying Attraction Acs Macro Letters. 8: 766-772. DOI: 10.1021/Acsmacrolett.9B00211 |
0.31 |
|
| 2019 |
Howard MP, Statt A, Madutsa F, Truskett TM, Panagiotopoulos AZ. Quantized bounding volume hierarchies for neighbor search in molecular simulations on graphics processing units Computational Materials Science. 164: 139-146. DOI: 10.1016/J.Commatsci.2019.04.004 |
0.376 |
|
| 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 |
0.325 |
|
| 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 |
0.534 |
|
| 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 |
0.307 |
|
| 2018 |
Li N, Nikoubashman A, Panagiotopoulos AZ. Multi-scale simulations of polymeric nanoparticle aggregation during rapid solvent exchange. The Journal of Chemical Physics. 149: 084904. PMID 30193496 DOI: 10.1063/1.5046159 |
0.399 |
|
| 2018 |
Laio A, Panagiotopoulos AZ, Zuckerman DM. Preface: Special Topic on Enhanced Sampling for Molecular Systems. The Journal of Chemical Physics. 149: 072001. PMID 30134673 DOI: 10.1063/1.5049669 |
0.358 |
|
| 2018 |
Statt A, Howard MP, Panagiotopoulos AZ. Influence of hydrodynamic interactions on stratification in drying mixtures. The Journal of Chemical Physics. 149: 024902. PMID 30007382 DOI: 10.1063/1.5031789 |
0.395 |
|
| 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 |
0.355 |
|
| 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 |
0.53 |
|
| 2018 |
Reinhart WF, Panagiotopoulos AZ. Crystal growth kinetics of triblock Janus colloids. The Journal of Chemical Physics. 148: 124506. PMID 29604845 DOI: 10.1063/1.5021347 |
0.308 |
|
| 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 |
0.59 |
|
| 2018 |
Chen H, Panagiotopoulos AZ. Communication: Modeling electrolyte mixtures with concentration dependent dielectric permittivity. The Journal of Chemical Physics. 148: 041102. PMID 29390803 DOI: 10.1063/1.5018195 |
0.419 |
|
| 2018 |
Young JM, Panagiotopoulos AZ. System-Size Dependence of Electrolyte Activity Coefficients in Molecular Simulations. The Journal of Physical Chemistry. B. PMID 29298392 DOI: 10.1021/Acs.Jpcb.7B09861 |
0.402 |
|
| 2018 |
Jiao S, Santos AP, Panagiotopoulos AZ. Differences in free surfactant concentration and aggregation properties for amphiphiles with the same critical micelle concentration Fluid Phase Equilibria. 470: 126-133. DOI: 10.1016/J.Fluid.2017.10.026 |
0.398 |
|
| 2018 |
Howard MP, Panagiotopoulos AZ, Nikoubashman A. Efficient mesoscale hydrodynamics: Multiparticle collision dynamics with massively parallel GPU acceleration Computer Physics Communications. 230: 10-20. DOI: 10.1016/J.Cpc.2018.04.009 |
0.359 |
|
| 2017 |
Li N, Nikoubashman A, Panagiotopoulos AZ. Controlled production of patchy particles from the combined effects of nanoprecipitation and vitrification. Soft Matter. PMID 29083005 DOI: 10.1039/C7Sm01896G |
0.363 |
|
| 2017 |
Santos AP, Pe Combining Cedilla Kalski J, Panagiotopoulos AZ. Thermodynamic signatures and cluster properties of self-assembly in systems with competing interactions. Soft Matter. PMID 29052681 DOI: 10.1039/C7Sm01721A |
0.315 |
|
| 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 |
0.374 |
|
| 2017 |
Howard MP, Nikoubashman A, Panagiotopoulos AZ. Stratification in drying polymer-polymer and colloid-polymer mixtures. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28793766 DOI: 10.1021/Acs.Langmuir.7B02074 |
0.309 |
|
| 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 |
0.561 |
|
| 2017 |
Howard MP, Nikoubashman A, Panagiotopoulos AZ. Stratification dynamics in drying colloidal mixtures. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28349690 DOI: 10.1021/Acs.Langmuir.7B00543 |
0.353 |
|
| 2017 |
Li N, Panagiotopoulos AZ, Nikoubashman A. Structured nanoparticles from the self-assembly of polymer blends through rapid solvent exchange. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28314373 DOI: 10.1021/Acs.Langmuir.7B00291 |
0.351 |
|
| 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 |
0.65 |
|
| 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 |
0.572 |
|
| 2017 |
Vella JR, Chen M, Stillinger FH, Carter EA, Debenedetti PG, Panagiotopoulos AZ. Structural and dynamic properties of liquid tin from a new modified embedded-atom method force field Physical Review B. 95. DOI: 10.1103/Physrevb.95.064202 |
0.571 |
|
| 2017 |
Vella JR, Chen M, Fürstenberg S, Stillinger FH, Carter EA, Debenedetti PG, Panagiotopoulos AZ. Characterization of the liquid Li-solid Mo (1 1 0) interface from classical molecular dynamics for plasma-facing applications Nuclear Fusion. 57: 116036. DOI: 10.1088/1741-4326/Aa7E0D |
0.57 |
|
| 2017 |
Schneider J, Panagiotopoulos AZ, Müller-Plathe F. Polymer Chain Collapse upon Rapid Solvent Exchange: Slip-Spring Dissipative Particle Dynamics Simulations with an Explicit-Solvent Model The Journal of Physical Chemistry C. 121: 27664-27673. DOI: 10.1021/Acs.Jpcc.7B07135 |
0.43 |
|
| 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 |
0.736 |
|
| 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 |
0.752 |
|
| 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 |
0.591 |
|
| 2016 |
Reinhart WF, Panagiotopoulos AZ. Equilibrium crystal phases of triblock Janus colloids. The Journal of Chemical Physics. 145: 094505. PMID 27609002 DOI: 10.1063/1.4961869 |
0.368 |
|
| 2016 |
Gallo P, Amann-Winkel K, Angell CA, Anisimov MA, Caupin F, Chakravarty C, Lascaris E, Loerting T, Panagiotopoulos AZ, Russo J, Sellberg JA, Stanley HE, Tanaka H, Vega C, Xu L, et al. Water: A Tale of Two Liquids. Chemical Reviews. PMID 27380438 DOI: 10.1021/Acs.Chemrev.5B00750 |
0.411 |
|
| 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 |
0.334 |
|
| 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 |
0.435 |
|
| 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 |
0.439 |
|
| 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 |
0.759 |
|
| 2016 |
Silmore KS, Howard MP, Panagiotopoulos AZ. Vapour–liquid phase equilibrium and surface tension of fully flexible Lennard–Jones chains Molecular Physics. 115: 320-327. DOI: 10.1080/00268976.2016.1262075 |
0.759 |
|
| 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 |
0.576 |
|
| 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 |
0.32 |
|
| 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 |
0.449 |
|
| 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 |
0.375 |
|
| 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 |
0.763 |
|
| 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 |
0.398 |
|
| 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 |
0.369 |
|
| 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 |
0.53 |
|
| 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 |
0.419 |
|
| 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 |
0.33 |
|
| 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 |
0.364 |
|
| 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 |
0.4 |
|
| 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 |
0.361 |
|
| 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 |
0.414 |
|
| 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 |
0.541 |
|
| 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 |
0.465 |
|
| 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 |
0.744 |
|
| 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 |
0.68 |
|
| 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 |
0.743 |
|
| 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 |
0.457 |
|
| 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 |
0.607 |
|
| 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 |
0.765 |
|
| 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 |
0.797 |
|
| 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 |
0.602 |
|
| 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 |
0.566 |
|
| 2014 |
Nikoubashman A, Davis RL, Michal BT, Chaikin PM, Register RA, Panagiotopoulos AZ. Thin films of homopolymers and cylinder-forming diblock copolymers under shear. Acs Nano. 8: 8015-26. PMID 25107567 DOI: 10.1021/Nn502068E |
0.331 |
|
| 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 |
0.388 |
|
| 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 |
0.489 |
|
| 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 |
0.802 |
|
| 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 |
0.564 |
|
| 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 |
0.549 |
|
| 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 |
0.743 |
|
| 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 |
0.33 |
|
| 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 |
0.406 |
|
| 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 |
0.63 |
|
| 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 |
0.34 |
|
| 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 |
0.804 |
|
| 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 |
0.392 |
|
| 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 |
0.368 |
|
| 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 |
0.432 |
|
| 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 |
0.397 |
|
| 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 |
0.427 |
|
| 2013 |
Hong B, Panagiotopoulos AZ. Diffusivities, viscosities, and conductivities of solvent-free ionically grafted nanoparticles Soft Matter. 9: 6091-6102. DOI: 10.1039/C3Sm50832C |
0.588 |
|
| 2013 |
Nikoubashman A, Register RA, Panagiotopoulos AZ. Self-assembly of cylinder-forming diblock copolymer thin films Macromolecules. 46: 6651-6658. DOI: 10.1021/Ma400867S |
0.324 |
|
| 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 |
0.6 |
|
| 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 |
0.589 |
|
| 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 |
0.373 |
|
| 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 |
0.577 |
|
| 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 |
0.395 |
|
| 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 |
0.396 |
|
| 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 |
0.56 |
|
| 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 |
0.606 |
|
| 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 |
0.353 |
|
| 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 |
0.668 |
|
| 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 |
0.585 |
|
| 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 |
0.623 |
|
| 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 |
0.321 |
|
| 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 |
0.793 |
|
| 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 |
0.791 |
|
| 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 |
0.343 |
|
| 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 |
0.398 |
|
| 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 |
0.341 |
|
| 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 |
0.814 |
|
| 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 |
0.589 |
|
| 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 |
0.531 |
|
| 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 |
0.653 |
|
| 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 |
0.643 |
|
| 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 |
0.327 |
|
| 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 |
0.803 |
|
| 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 |
0.57 |
|
| 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 |
0.517 |
|
| 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 |
0.538 |
|
| 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 |
0.547 |
|
| 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 |
0.626 |
|
| 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 |
0.355 |
|
| 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 |
0.627 |
|
| 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 |
0.368 |
|
| 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 |
0.351 |
|
| 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 |
0.575 |
|
| 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 |
0.628 |
|
| 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 |
0.354 |
|
| 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 |
0.567 |
|
| 2009 |
Jusufi A, Hynninen AP, Haataja M, Panagiotopoulos AZ. Electrostatic screening and charge correlation effects in micellization of ionic surfactants. The Journal of Physical Chemistry. B. 113: 6314-20. PMID 19361177 DOI: 10.1021/Jp901032G |
0.391 |
|
| 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 |
0.525 |
|
| 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 |
0.371 |
|
| 2009 |
Davis JR, Panagiotopoulos AZ. Micellization and phase separation in binary amphiphile mixtures Molecular Physics. 107: 2359-2366. DOI: 10.1080/00268970903279017 |
0.634 |
|
| 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 |
0.575 |
|
| 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 |
0.424 |
|
| 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 |
0.633 |
|
| 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 |
0.458 |
|
| 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 |
0.689 |
|
| 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 |
0.757 |
|
| 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 |
0.359 |
|
| 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 |
0.687 |
|
| 2008 |
Hynninen AP, Panagiotopoulos AZ. Simulations of phase transitions and free energies for ionic systems Molecular Physics. 106: 2039-2051. DOI: 10.1080/00268970802112160 |
0.406 |
|
| 2008 |
Sanders SA, Panagiotopoulos AZ. Analysis of molecular dynamics simulations of the self-assembly of coarse grained surfactant models Aiche Annual Meeting, Conference Proceedings. |
0.574 |
|
| 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 |
0.806 |
|
| 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 |
0.806 |
|
| 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 |
0.825 |
|
| 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 |
0.374 |
|
| 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 |
0.394 |
|
| 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 |
0.391 |
|
| 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 |
0.786 |
|
| 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 |
0.532 |
|
| 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 |
0.633 |
|
| 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 |
0.806 |
|
| 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 |
0.582 |
|
| 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 |
0.396 |
|
| 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 |
0.553 |
|
| 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 |
0.338 |
|
| 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 |
0.313 |
|
| 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 |
0.375 |
|
| 2005 |
Panagiotopoulos AZ. Thermodynamic properties of lattice hard-sphere models. The Journal of Chemical Physics. 123: 104504. PMID 16178607 DOI: 10.1063/1.2008253 |
0.416 |
|
| 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 |
0.442 |
|
| 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 |
0.382 |
|
| 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 |
0.355 |
|
| 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 |
0.333 |
|
| 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 |
0.424 |
|
| 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 |
0.767 |
|
| 2005 |
Arya G, Panagiotopoulos AZ. Impact of branching on the phase behavior of polymers Macromolecules. 38: 10596-10604. DOI: 10.1021/Ma0515376 |
0.374 |
|
| 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 |
0.413 |
|
| 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 |
0.385 |
|
| 2005 |
Davis JR, Vanderlick TK, Panagiotopoulos AZ. Self-assembly and phase behavior of model nanoparticles with attached chains Aiche Annual Meeting, Conference Proceedings. 10545. |
0.513 |
|
| 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. |
0.794 |
|
| 2005 |
Lenart PJ, Panagiotopoulos AZ. Tracing the critical locus for binary fluid mixtures using molecular simulations Aiche Annual Meeting, Conference Proceedings. 483. |
0.807 |
|
| 2005 |
Shell MS, Debenedetti PG, Panagiotopoulos AZ. Characterization of protein sequence landscapes using flat-histogram Monte Carlo algorithms Aiche Annual Meeting, Conference Proceedings. 10511. |
0.418 |
|
| 2005 |
Lenart PJ, Panagiotopoulos AZ. Tracing the critical locus for binary fluid mixtures using molecular simulations Aiche Annual Meeting, Conference Proceedings. 483. |
0.807 |
|
| 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 |
0.399 |
|
| 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 |
0.533 |
|
| 2004 |
Shell MS, Debenedetti PG, Panagiotopoulos AZ. Erratum: Saddles in the Energy Landscape: Extensivity and Thermodynamic Formalism [Phys. Rev. Lett.92, 035506 (2004)] Physical Review Letters. 92. DOI: 10.1103/Physrevlett.92.169902 |
0.478 |
|
| 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 |
0.543 |
|
| 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 |
0.792 |
|
| 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 |
0.436 |
|
| 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 |
0.381 |
|
| 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 |
0.423 |
|
| 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 |
0.417 |
|
| 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 |
0.618 |
|
| 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 |
0.446 |
|
| 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 |
0.425 |
|
| 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 |
0.543 |
|
| 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 |
0.763 |
|
| 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 |
0.358 |
|
| 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 |
0.391 |
|
| 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 |
0.577 |
|
| 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 |
0.587 |
|
| 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 |
0.33 |
|
| 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 |
0.569 |
|
| 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 |
0.31 |
|
| 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 |
0.362 |
|
| 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 |
0.356 |
|
| 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 |
0.382 |
|
| 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 |
0.423 |
|
| 2002 |
Panagiotopoulos AZ. Critical parameters of the restricted primitive model Journal of Chemical Physics. 116: 3007-3011. DOI: 10.1063/1.1435571 |
0.359 |
|
| 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 |
0.439 |
|
| 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 |
0.608 |
|
| 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 |
0.455 |
|
| 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 |
0.403 |
|
| 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 |
0.345 |
|
| 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 |
0.334 |
|
| 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 |
0.574 |
|
| 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+ |
0.308 |
|
| 2001 |
Gilra N, Panagiotopoulos AZ, Cohen C. Monte Carlo simulations of polymer network deformation Macromolecules. 34: 6090-6096. DOI: 10.1021/Ma0021895 |
0.377 |
|
| 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 |
0.607 |
|
| 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 |
0.399 |
|
| 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 |
0.417 |
|
| 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 |
0.405 |
|
| 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 |
0.348 |
|
| 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 |
0.707 |
|
| 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 |
0.726 |
|
| 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 |
0.375 |
|
| 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. |
0.735 |
|
| 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 |
0.565 |
|
| 1999 |
Kumar SK, Panagiotopoulos AZ. Thermodynamics of reversibly associating polymer solutions Physical Review Letters. 82: 5060-5063. DOI: 10.1103/Physrevlett.82.5060 |
0.506 |
|
| 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 |
0.777 |
|
| 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 |
0.655 |
|
| 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 |
0.434 |
|
| 1999 |
Floriano MA, Caponetti E, Panagiotopoulos AZ. Micellization in model surfactant systems Langmuir. 15: 3143-3151. DOI: 10.1021/La9810206 |
0.441 |
|
| 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 |
0.628 |
|
| 1998 |
Kiyohara K, Gubbins KE, Panagiotopoulos AZ. Phase coexistence properties of polarizable water models Molecular Physics. 94: 803-808. DOI: 10.1080/002689798167638 |
0.438 |
|
| 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 |
0.72 |
|
| 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 |
0.357 |
|
| 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 |
0.655 |
|
| 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 |
0.465 |
|
| 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 |
0.602 |
|
| 1998 |
Errington JR, Boulougouris GC, Economou IG, Panagiotopoulos AZ, Theodorou DN. Molecular Simulation of Phase Equilibria for Water−Methane and Water−Ethane Mixtures The Journal of Physical Chemistry B. 102: 8865-8873. DOI: 10.1021/Jp981627V |
0.791 |
|
| 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 |
0.655 |
|
| 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 |
0.432 |
|
| 1997 |
Mackie AD, Panagiotopoulos AZ, Szleifer I. Aggregation behavior of a lattice model for amphiphiles Langmuir. 13: 5022-5028. DOI: 10.1021/La961090H |
0.425 |
|
| 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 |
0.573 |
|
| 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 |
0.38 |
|
| 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 |
0.384 |
|
| 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 |
0.425 |
|
| 1996 |
Sheng Y, Panagiotopoulos AZ, Kumar SK. Effect of Chain Stiffness on Polymer Phase Behavior Macromolecules. 29: 4444-4446. DOI: 10.1021/Ma951343Y |
0.617 |
|
| 1996 |
Panagiotopoulos AZ. Current advances in Monte Carlo methods Fluid Phase Equilibria. 116: 257-266. DOI: 10.1016/0378-3812(95)02894-3 |
0.415 |
|
| 1995 |
Góźdź W, Gubbins K, Panagiotopoulos A. Liquid-liquid phase transitions in pores Molecular Physics. 84: 825-834. DOI: 10.1080/00268979500100581 |
0.428 |
|
| 1995 |
Sheng Y, Panagiotopoulos AZ, Kumar SK. Mixing properties of model polymer/solvent systems The Journal of Chemical Physics. 103: 10315-10324. DOI: 10.1063/1.469869 |
0.582 |
|
| 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 |
0.634 |
|
| 1995 |
Panagiotopoulos AZ. Monte carlo simulations of phase coexistence for polymeric and ionic fluids Fluid Phase Equilibria. 104: 185-194. DOI: 10.1016/0378-3812(94)02648-K |
0.462 |
|
| 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 |
0.428 |
|
| 1995 |
Sheng Y, Panagiotopoulos AZ, Tassios DP. Activity coefficients in nearly athermal model polymer/solvent systems Aiche Journal. 41: 2306-2313. DOI: 10.1002/Aic.690411014 |
0.408 |
|
| 1994 |
Mackie AD, Panagiotopoulos AZ, Frenkel D, Kumar SK. Constant-Pressure Monte Carlo Simulations for Lattice Models Europhysics Letters (Epl). 27: 549-554. DOI: 10.1209/0295-5075/27/7/010 |
0.593 |
|
| 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 |
0.417 |
|
| 1994 |
Orkoulas G, Panagiotopoulos AZ. Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations Journal of Chemical Physics. 101: 1452-1459. DOI: 10.1063/1.467770 |
0.466 |
|
| 1994 |
Sheng YJ, Panagiotopoulos AZ, Kumar SK, Szleifer I. Monte Carlo calculation of phase equilibria for a bead-spring polymeric model Macromolecules. 27: 400-406. DOI: 10.1021/Ma00080A012 |
0.603 |
|
| 1994 |
Harismiadis VI, Panagiotopoulos AZ, Tassios DP. Phase equilibria of binary Lennard-Jones mixtures with cubic equations of state Fluid Phase Equilibria. 94: 1-18. DOI: 10.1016/0378-3812(94)87049-7 |
0.331 |
|
| 1994 |
Georgoulaki AM, Ntouros lV, Tassios DP, Panagiotopoulos AZ. Phase equilibria of binary Lennard-Jones mixtures: simulation and van der Waals l-fluid theory Fluid Phase Equilibria. 100: 153-170. DOI: 10.1016/0378-3812(94)80007-3 |
0.404 |
|
| 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 |
0.361 |
|
| 1994 |
Panagiotopoulos AZ. Molecular simulation of phase coexistence: Finite-size effects and determination of critical parameters for two- and three-dimensional Lennard-Jones fluids International Journal of Thermophysics. 15: 1057-1072. DOI: 10.1007/Bf01458815 |
0.43 |
|
| 1993 |
Recht J, Panagiotopoulos A. Finite-size effects and approach to criticality in Gibbs ensemble simulations Molecular Physics. 80: 843-852. DOI: 10.1080/00268979300102701 |
0.407 |
|
| 1993 |
O’Toole EM, Panagiotopoulos AZ. Effect of sequence and intermolecular interactions on the number and nature of low‐energy states for simple model proteins The Journal of Chemical Physics. 98: 3185-3190. DOI: 10.1063/1.464091 |
0.33 |
|
| 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 |
0.432 |
|
| 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 |
0.38 |
|
| 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 |
0.423 |
|
| 1992 |
Panagiotopoulos AZ. Direct Determination of Fluid Phase Equilibria by Simulation in the Gibbs Ensemble: A Review Molecular Simulation. 9: 1-23. DOI: 10.1080/08927029208048258 |
0.411 |
|
| 1992 |
Szleifer I, Panagiotopoulos AZ. Chain length and density dependence of the chemical potential of lattice polymers The Journal of Chemical Physics. 97: 6666-6673. DOI: 10.1063/1.463671 |
0.371 |
|
| 1992 |
Szleifer I, O’Toole EM, Panagiotopoulos AZ. Monte Carlo simulation of the collapse‐coil transition in homopolymers The Journal of Chemical Physics. 97: 6802-6808. DOI: 10.1063/1.463633 |
0.404 |
|
| 1992 |
O’Toole EM, Panagiotopoulos AZ. Monte Carlo simulation of folding transitions of simple model proteins using a chain growth algorithm The Journal of Chemical Physics. 97: 8644-8652. DOI: 10.1063/1.463383 |
0.365 |
|
| 1992 |
Panagiotopoulos A. Molecular simulation of phase equilibria: simple, ionic and polymeric fluids Fluid Phase Equilibria. 76: 97-112. DOI: 10.1016/0378-3812(92)85080-R |
0.45 |
|
| 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 |
0.526 |
|
| 1991 |
Willson RC, Panagiotopoulos AZ, Reid RC. High-pressure phase equilibria in ternary systems of propionic acid and water with ethane, sulfur hexafluoride or refrigerant 13 (chlorotrifluoromethane), 23 (trifluoromethane), or 116 (hexafluoroethane) Journal of Chemical & Engineering Data. 36: 290-293. DOI: 10.1021/Je00003A010 |
0.62 |
|
| 1991 |
Harismiadis V, Koutras N, Tassios D, Panagiotopoulos A. How good is conformal solutions theory for phase equilibrium predictions? Fluid Phase Equilibria. 65: 1-18. DOI: 10.1016/0378-3812(91)87014-Z |
0.417 |
|
| 1991 |
van Leeuwen M, Peters C, de Swaan Arons J, Panagiotopoulos A. Investigation of the transition to liquid-liquid immiscibilitym for Lennard-Jones (12,6) systems, using Gibbs-ensemble molecular simulations Fluid Phase Equilibria. 66: 57-75. DOI: 10.1016/0378-3812(91)85047-X |
0.42 |
|
| 1991 |
van Leeuwen M, Peters C, de Swaan Arons J, Panagiotopoulos A. Evaluation of a statistical-mechanical virial equation of state, using Gibbs-ensemble molecular simulations Fluid Phase Equilibria. 66: 41-55. DOI: 10.1016/0378-3812(91)85046-W |
0.381 |
|
| 1990 |
Stapleton MR, Panagiotopoulos AZ. Application of excluded volume map sampling to phase equilibrium calculations in the Gibbs ensemble The Journal of Chemical Physics. 92: 1285-1293. DOI: 10.1063/1.458138 |
0.421 |
|
| 1989 |
Panagiotopoulos AZ, Stapleton MR. The gibbs method for molecular-based computer simulations of phase equilibria Fluid Phase Equilibria. 53: 133-141. DOI: 10.1016/0378-3812(89)80080-9 |
0.42 |
|
| 1989 |
Panagiotopoulos AZ. Exact calculations of fluid-phase equilibria by Monte Carlo simulation in a new statistical ensemble International Journal of Thermophysics. 10: 447-457. DOI: 10.1007/Bf01133541 |
0.456 |
|
| 1988 |
Panagiotopoulos AZ, Quirke N, Stapleton M, Tildesley DJ. Phase equilibria by simulation in the Gibbs ensemble Molecular Physics. 63: 527-545. DOI: 10.1080/00268978800100361 |
0.442 |
|
| 1988 |
Woods GB, Panagiotopoulos AZ, Rowlinson JS. Adsorption of fluids in model zeolite cavities Molecular Physics. 63: 49-63. DOI: 10.1080/00268978800100051 |
0.36 |
|
| 1988 |
Panagiotopoulos AZ, Willson RC, Reid RC. Phase equilibria in ternary systems with carbon dioxide, water and carboxylic acids at elevated pressures Journal of Chemical & Engineering Data. 33: 321-327. DOI: 10.1021/Je00053A028 |
0.593 |
|
| 1987 |
Panagiotopoulos AZ. Adsorption and capillary condensation of fluids in cylindrical pores by Monte Carlo simulation in the Gibbs ensemble Molecular Physics. 62: 701-719. DOI: 10.1080/00268978700102501 |
0.397 |
|
| 1987 |
Panagiotopoulos AZ. Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble Molecular Physics. 61: 813-826. DOI: 10.1080/00268978700101491 |
0.448 |
|
| 1986 |
Panagiotopoulos AZ, Reid RC. On the relationship between pairwise fluctuations and thermodynamic derivatives The Journal of Chemical Physics. 85: 4650-4653. DOI: 10.1063/1.451761 |
0.489 |
|
| 1986 |
Panagiotopoulos AZ, Suter UW, Reid RC. Phase diagrams of nonideal fluid mixtures from Monte Carlo simulation Industrial & Engineering Chemistry Fundamentals. 25: 525-535. DOI: 10.1021/I100024A012 |
0.69 |
|
| 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 |
0.548 |
|
| 1985 |
Panagiotopoulos A, Kumar S. A generalized technique to obtain pure component parameters for two-parameter equations of state Fluid Phase Equilibria. 22: 77-88. DOI: 10.1016/0378-3812(85)87012-6 |
0.506 |
|
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