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1

Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble

PANAGIOTOPOULOS, ATHANASSIOS Z.

Journal:

Molecular Physics

Year:

2002

Language:

english

File:

PDF, 871 KB

english, 2002

2

Direct Determination of Fluid Phase Equilibria by Simulation in the Gibbs Ensemble: A Review

Panagiotopoulos, Athanassios Z.

Journal:

Molecular Simulation

Year:

1992

Language:

english

File:

PDF, 1.39 MB

english, 1992

3

Monte Carlo methods for phase equilibria of fluids

Panagiotopoulos, Athanassios Z

Journal:

Journal of Physics Condensed Matter

Year:

2000

Language:

english

File:

PDF, 1.41 MB

english, 2000

4

Atomistic simulation of CO 2 solubility in poly(ethylene oxide) oligomers

Hong, Bingbing, Panagiotopoulos, Athanassios Z.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 447 KB

english, 2014

5

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)]

Palmer, Jeremy C., Haji-Akbari, Amir, Singh, Rakesh S., Martelli, Fausto, Car, Roberto, Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 456 KB

english, 2018

6

Eicosanoids in prostate cancer

Panagiotopoulos, Athanassios A., Kalyvianaki, Konstantina, Castanas, Elias, Kampa, Marilena

Journal:

Cancer and Metastasis Reviews

Year:

2018

Language:

english

File:

PDF, 1.05 MB

english, 2018

7

The gibbs method for molecular-based computer simulations of phase equilibria

Athanassios Z. Panagiotopoulos, Michael R. Stapleton

Journal:

Fluid Phase Equilibria

Year:

1989

Language:

english

File:

PDF, 520 KB

english, 1989

8

Phase equilibria of binary Lennard-Jones mixtures: simulation and van der Waals l-fluid theory

Aikaterini M. Georgoulaki, loannis V. Ntouros, Dimitrios P. Tassios, Athanassios Z. Panagiotopoulos

Journal:

Fluid Phase Equilibria

Year:

1994

Language:

english

File:

PDF, 1.29 MB

english, 1994

9

Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations

Orkoulas, Gerassimos, Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 861 KB

english, 1994

10

Communication: Nucleation rates of supersaturated aqueous NaCl using a polarizable force field

Jiang, Hao, Debenedetti, Pablo G., Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 353 KB

english, 2018

11

Liquid li structure and dynamics: A comparison between OFDFT and second nearest-neighbor embedded-atom method

Chen, Mohan, Vella, Joseph R., Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G., Stillinger, Frank H., Carter, Emily A.

Journal:

Year:

2015

Language:

english

File:

PDF, 770 KB

english, 2015

12

Adsorption and capillary condensation of fluids in cylindrical pores by Monte Carlo simulation in the Gibbs ensemble

Panagiotopoulos, Athanassios Z.

Journal:

Molecular Physics

Year:

1987

Language:

english

File:

PDF, 1.07 MB

english, 1987

13

Determination of the critical micelle concentration in simulations of surfactant systems

Santos, Andrew P., Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.07 MB

english, 2016

14

Self-assembly scenarios of block copolymer stars

Koch, Christian, Likos, Christos N., Panagiotopoulos, Athanassios Z., Lo Verso, Federica

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 1.36 MB

english, 2011

15

Simulations of phase transitions and free energies for ionic systems

Hynninen, Antti-Pekka, Panagiotopoulos, Athanassios Z.

Journal:

Molecular Physics

Year:

2008

Language:

english

File:

PDF, 795 KB

english, 2008

16

Surface tension of the three-dimensional Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations

Potoff, Jeffrey J., Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 342 KB

english, 2000

17

Phase equilibria of binary Lennard-Jones mixtures with cubic equations of state

Vassilis I. Harismiadis, Athanassios Z. Panagiotopoulos, Dimitrios P. Tassios

Journal:

Fluid Phase Equilibria

Year:

1994

Language:

english

File:

PDF, 1.13 MB

english, 1994

18

Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble

Panagiotopoulos, Athanassios Z.

Journal:

Molecular Physics

Year:

1987

Language:

english

File:

PDF, 877 KB

english, 1987

19

Monte Carlo Simulations of High-Pressure Phase Equilibria of CO 2 –H 2 O Mixtures

Liu, Yang, Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 2.30 MB

english, 2011

20

Viscosity of Nafion Oligomers as a Function of Hydration and Counterion Type: A Molecular Dynamics Study

Daly, Kevin B., Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G., Benziger, Jay B.

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 5.16 MB

english, 2014

21

Aggregation Behavior of a Lattice Model for Amphiphiles

Mackie, Allan D., Panagiotopoulos, Athanassios Z., Szleifer, Igal

Journal:

Year:

1997

Language:

english

File:

PDF, 254 KB

english, 1997

22

Coarse-Grained Simulations of Rapid Assembly Kinetics for Polystyrene- b -poly(ethylene oxide) Copolymers in Aqueous Solutions

Chen, Ting, Hynninen, Antti-Pekka, Prud’homme, Robert K., Kevrekidis, Ioannis G., Panagiotopoulos, Athanassios Z.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 668 KB

english, 2008

23

Critical point of electrolyte mixtures

Hynninen, Antti-Pekka, Dijkstra, Marjolein, Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 556 KB

english, 2005

24

Lattice discretization effects on the critical parameters of model nonpolar and polar fluids

Moghaddam, Sarvin, Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 544 KB

english, 2003

25

Dynamic properties of aqueous electrolyte solutions from non-polarisable, polarisable, and scaled-charge models

Yue, Shuwen, Panagiotopoulos, Athanassios Z.

Journal:

Molecular Physics

Year:

2019

Language:

english

File:

PDF, 1.93 MB

english, 2019

26

Modelling phase equilibria: Thermodynamic background and practical tools. By S. Malanowski and A. Anderko, Wiley Series in Chemical Engineering, 272 pp., $69.95

Athanassios Z. Panagiotopoulos

Journal:

Year:

1993

Language:

english

File:

PDF, 132 KB

english, 1993

27

Critical point and phase behavior of the pure fluid and a Lennard-Jones mixture

Potoff, Jeffrey J., Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 372 KB

english, 1998

28

Micellization in Model Surfactant Systems

Floriano, M. Antonio, Caponetti, Eugenio, Panagiotopoulos, Athanassios Z.

Journal:

Year:

1999

Language:

english

File:

PDF, 135 KB

english, 1999

29

Stabilizing colloidal crystals by leveraging void distributions

Mahynski, Nathan A., Panagiotopoulos, Athanassios Z., Meng, Dong, Kumar, Sanat K.

Journal:

Nature Communications

Year:

2014

Language:

english

File:

PDF, 460 KB

english, 2014

30

Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations

Lı́sal, Martin, Hall, Carol K., Gubbins, Keith E., Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 433 KB

english, 2002

31

Efficient neighbor list calculation for molecular simulation of colloidal systems using graphics processing units

Howard, Michael P., Anderson, Joshua A., Nikoubashman, Arash, Glotzer, Sharon C., Panagiotopoulos, Athanassios Z.

Journal:

Computer Physics Communications

Year:

2016

Language:

english

File:

PDF, 457 KB

english, 2016

32

Machine learning for autonomous crystal structure identification

Reinhart, Wesley F., Long, Andrew W., Howard, Michael P., Ferguson, Andrew L., Panagiotopoulos, Athanassios Z.

Journal:

Year:

2017

Language:

english

File:

PDF, 2.97 MB

english, 2017

33

Molluscum Contagiosum and Cryosurgery: Triggering Factors for Wells' Syndrome?

Stavropoulos, Panagiotis, Kostakis, Panagiotis, Panagiotopoulos, Antonios, Papakonstantinou, Anastasia-Metaxia, Petridis, Athanassios, Georgala, Sofia

Journal:

Acta Dermato Venereologica

Year:

2003

Language:

english

File:

PDF, 35 KB

english, 2003

34

Modelling the use of lanthanides(III) as probes at calcium(II) binding sites in biological systems: Preparation and characterization of neodymium(III) and calcium(II) malonamato(-1) complexes

Athanassios Panagiotopoulos, Spyros P. Perlepes, Evangelos G. Bakalbassis, Aris Terzis, Catherine P. Raptopoulou

Journal:

Year:

2010

Language:

english

File:

PDF, 532 KB

english, 2010

35

Electrostatic Screening and Charge Correlation Effects in Micellization of Ionic Surfactants

Jusufi, Arben, Hynninen, Antti-Pekka, Haataja, Mikko, Panagiotopoulos, Athanassios Z.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.48 MB

english, 2009

36

Shear Ordering in Thin Films of Spherical Block Copolymer

Arya, Gaurav, Rottler, Jörg, Panagiotopoulos, Athanassios Z., Srolovitz, David J., Chaikin, Paul M.

Journal:

Year:

2005

Language:

english

File:

PDF, 835 KB

english, 2005

37

Phase behavior of rigid, amphiphilic star polymers

Koch, Christian, Panagiotopoulos, Athanassios Z., Lo Verso, Federica, Likos, Christos N.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.54 MB

english, 2013

38

Phase coexistence properties of polarizable Stockmayer fluids

Kiyohara, Kenji, Gubbins, Keith E., Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 411 KB

english, 1997

39

Gaussian-Charge Polarizable and Nonpolarizable Models for CO 2

Jiang, Hao, Moultos, Othonas A., Economou, Ioannis G., Panagiotopoulos, Athanassios Z.

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 990 KB

english, 2016

40

Photochemical hydrogen production and cobaloximes: the influence of the cobalt axial N-ligand on the system stability

Panagiotopoulos, Athanassios, Ladomenou, Kalliopi, Sun, Dongyue, Artero, Vincent, Coutsolelos, Athanassios G.

Journal:

Dalton Transactions

Year:

2016

Language:

english

File:

PDF, 1.06 MB

english, 2016

41

Equilibrium crystal phases of triblock Janus colloids

Reinhart, Wesley F., Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.67 MB

english, 2016

42

System-Size Dependence of Electrolyte Activity Coefficients in Molecular Simulations

Young, Jeffrey M., Panagiotopoulos, Athanassios Z.

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 635 KB

english, 2018

43

Signatures of a liquidâliquid transition in an ab initio deep neural network model for water

Gartner, Thomas E., Zhang, Linfeng, Piaggi, Pablo M., Car, Roberto, Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G.

Journal:

Proceedings of the National Academy of Sciences

Year:

2020

File:

PDF, 1.06 MB

2020

44

Molecular structural order and anomalies in liquid silica

Shell, M. Scott, Debenedetti, Pablo G., Panagiotopoulos, Athanassios Z.

Journal:

Physical Review E

Year:

2002

Language:

english

File:

PDF, 115 KB

english, 2002

45

Phase Behavior of Binary Stockmayer and Polarizable Lennard-Jones Fluid Mixtures Using Adiabatic Nuclear and Electronic Sampling

Lenart, Philip J., Panagiotopoulos, Athanassios Z.

Journal:

Industrial & Engineering Chemistry Research

Year:

2006

Language:

english

File:

PDF, 125 KB

english, 2006

46

Structure of phase-separated athermal colloid-polymer systems in the protein limit

Mahynski, Nathan A., Irick, Barry, Panagiotopoulos, Athanassios Z.

Journal:

Physical Review E

Year:

2013

Language:

english

File:

PDF, 706 KB

english, 2013

47

Micellization and phase separation in binary amphiphile mixtures

Davis, Jonathan R., Panagiotopoulos, Athanassios Z.

Journal:

Molecular Physics

Year:

2009

Language:

english

File:

PDF, 919 KB

english, 2009

48

Erratum: Flow-induced demixing of polymer-colloid mixtures in microfluidic channels [J. Chem. Phys. 140, 094903 (2014)]

Nikoubashman, Arash, Mahynski, Nathan A., Howard, Michael P., Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 729 KB

english, 2014

49

Grafted nanoparticles as soft patchy colloids: Self-assembly versus phase separation

Mahynski, Nathan A., Panagiotopoulos, Athanassios Z.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.12 MB

english, 2015

50

Multi-atom pattern analysis for binary superlattices

Reinhart, Wesley F, Panagiotopoulos, Athanassios

Journal:

Year:

2017

Language:

english

File:

PDF, 4.30 MB

english, 2017

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