Georgios G. Vogiatzis

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Publications

Journal articles, one review and conference proceedings, newest first. Also on Google Scholar and ORCID.

2026

  • Conformational, Aggregation, and Membrane Interaction Dynamics of Keratin-Derived Antimicrobial Peptides from Molecular Dynamics Simulations

    P. Panagopoulos Papageorgiou, K. S. Karadima, I. Papageorgiou, G. G. Vogiatzis, V. G. Mavrantzas

    The Journal of Physical Chemistry B, published online 2 October 2026 · doi:10.1021/acs.jpcb.6c04420

  • Simulation Framework for the Chemical Degradation in Polymeric Solids

    K. Steiakakis, G. G. Vogiatzis, L. C. A. V. Breemen, M. Hütter

    The Journal of Physical Chemistry A, 130, 5030-5044 · doi:10.1021/acs.jpca.6c00943

2023

  • Network dynamics: a computational framework for the simulation of the glassy state

    G. G. Vogiatzis, L. C. A. V. Breemen, M. Hütter, D. N. Theodorou

    Molecular Systems Design & Engineering, 8, 1013-1029 · doi:10.1039/d2me00256f

2022

  • Response of Elementary Structural Transitions in Glassy Atactic Polystyrene to Temperature and Deformation

    G. G. Vogiatzis, L. C. V. Breemen, M. Hütter

    The Journal of Physical Chemistry B, 126, 7731-7744 · doi:10.1021/acs.jpcb.2c04199

2021

  • Microscopic Carriers of Plasticity in Glassy Polystyrene

    R. H. M. Mols, G. G. Vogiatzis, L. C. A. V. Breemen, M. Hütter

    Macromolecular Theory and Simulations, 30 · doi:10.1002/mats.202100021

  • Thermal conductivity of amorphous polymers and its dependence on molecular weight

    A. Kiessling, D. N. Simavilla, G. G. Vogiatzis, D. C. Venerus

    Polymer, 228, 123881 · doi:10.1016/j.polymer.2021.123881

  • Structure formation in suspensions under uniform electric or magnetic field

    K. Manikas, G. G. Vogiatzis, M. Hütter, P. D. Anderson

    Multiscale and Multidisciplinary Modeling, Experiments and Design, 4, 77-97 · doi:10.1007/s41939-021-00091-9

  • Structural Transitions in Glassy Atactic Polystyrene Using Transition-State Theory

    G. G. Vogiatzis, L. C. A. V. Breemen, M. Hütter

    The Journal of Physical Chemistry B, 125, 7273-7289 · doi:10.1021/acs.jpcb.1c02618

2020

  • Characterization of structures of particles

    K. Manikas, G. G. Vogiatzis, P. D. Anderson, M. Hütter

    Applied Physics A, 126 · doi:10.1007/s00339-020-03612-4

  • Free energy calculations by molecular simulations of deformed polymer glasses

    G. G. Vogiatzis, L. C. V. Breemen, D. N. Theodorou, M. Hütter

    Computer Physics Communications, 249, 107008 · doi:10.1016/j.cpc.2019.107008

  • Molecular Dynamics Test of the Stress-Thermal Rule in Polyethylene and Polystyrene Entangled Melts

    D. N. Simavilla, A. P. Sgouros, G. G. Vogiatzis, C. Tzoumanekas, V. Georgilas, W. M. H. Verbeeten, D. N. Theodorou

    Macromolecules, 53, 789-802 · doi:10.1021/acs.macromol.9b02088

  • Molecular Simulations and Mechanistic Analysis of the Effect of CO2 Sorption on Thermodynamics, Structure, and Local Dynamics of Molten Atactic Polystyrene

    E. Ricci, N. Vergadou, G. G. Vogiatzis, M. G. D. Angelis, D. N. Theodorou

    Macromolecules, 53, 3669-3689 · doi:10.1021/acs.macromol.0c00323

2019

  • Network Topology of the States Probed by a Glassy Polymer during Physical Aging

    G. G. Vogiatzis, L. C. A. V. Breemen, M. Hütter

    Macromolecular Theory and Simulations, 28 · doi:10.1002/mats.201900036

  • Multiscale Simulations of Graphite-Capped Polyethylene Melts: Brownian Dynamics/Kinetic Monte Carlo Compared to Atomistic Calculations and Experiment

    A. P. Sgouros, G. G. Vogiatzis, G. Megariotis, C. Tzoumanekas, D. N. Theodorou

    Macromolecules, 52, 7503-7523 · doi:10.1021/acs.macromol.9b01379

  • Physical Ageing of Polystyrene: Does Tacticity Play a Role?

    K. Grigoriadi, J. B. H. M. Westrik, G. G. Vogiatzis, L. C. A. V. Breemen, P. D. Anderson, M. Hütter

    Macromolecules, 52, 5948-5954 · doi:10.1021/acs.macromol.9b01042

2018

  • Slip Spring-Based Mesoscopic Simulations of Polymer Networks: Methodology and the Corresponding Computational Code

    G. Megariotis, G. G. Vogiatzis, A. P. Sgouros, D. N. Theodorou

    Polymers, 10, 1156 · doi:10.3390/polym10101156

  • Multiscale Molecular Simulations of Polymer-Matrix Nanocomposites

    G. G. Vogiatzis, D. N. Theodorou

    Archives of Computational Methods in Engineering, 25, 591-645 · doi:10.1007/s11831-016-9207-y Review

2017

  • Equation of State Based Slip Spring Model for Entangled Polymer Dynamics

    G. G. Vogiatzis, G. Megariotis, D. N. Theodorou

    Macromolecules, 50, 3004-3029 · doi:10.1021/acs.macromol.6b01705

  • Molecular Simulations of Free and Graphite Capped Polyethylene Films: Estimation of the Interfacial Free Energies

    A. P. Sgouros, G. G. Vogiatzis, G. Kritikos, A. Boziki, A. Nikolakopoulou, D. Liveris, D. N. Theodorou

    Macromolecules, 50, 8827-8844 · doi:10.1021/acs.macromol.7b01808

2016

  • Mesoscopic Simulations of Crosslinked Polymer Networks

    G. Megariotis, G. G. Vogiatzis, L. Schneider, M. Müller, D. N. Theodorou

    Journal of Physics: Conference Series, 738, 012063 · doi:10.1088/1742-6596/738/1/012063 Proceedings

  • Molecular Modeling and Simulation of Polymer Nanocomposites at Multiple Length Scales

    I. G. Mathioudakis, G. G. Vogiatzis, C. Tzoumanekas, D. N. Theodorou

    IEEE Transactions on Nanotechnology, 15, 416-422 · doi:10.1109/tnano.2016.2538460

  • Molecular Dynamics Study of Polyethylene under Extreme Confinement

    G. Kritikos, A. Sgouros, G. G. Vogiatzis, D. N. Theodorou

    Journal of Physics: Conference Series, 738, 012012 · doi:10.1088/1742-6596/738/1/012012 Proceedings

  • Molecular modeling and simulation of atactic polystyrene/amorphous silica nanocomposites

    I. Mathioudakis, G. G. Vogiatzis, C. Tzoumanekas, D. N. Theodorou

    Journal of Physics: Conference Series, 738, 012021 · doi:10.1088/1742-6596/738/1/012021 Proceedings

  • Multiscale simulations of PS–SiO2 nanocomposites: from melt to glassy state

    I. G. Mathioudakis, G. G. Vogiatzis, C. Tzoumanekas, D. N. Theodorou

    Soft Matter, 12, 7585-7605 · doi:10.1039/c6sm01536k

2015

  • Molecular modeling and simulation of polymer nanocomposites at multiple length scales

    I. G. Mathioudakis, G. G. Vogiatzis, C. Tzoumanekas, D. N. Theodorou

    2015 IEEE 15th International Conference on Nanotechnology (IEEE-NANO), 1449-1452 · doi:10.1109/nano.2015.7388913 Proceedings

  • Application of bi-Helmholtz nonlocal elasticity and molecular simulations to the dynamical response of carbon nanotubes

    C. C. Koutsoumaris, G. G. Vogiatzis, D. N. Theodorou, G. J. Tsamasphyros

    AIP Conference Proceedings, 1702, 190011 · doi:10.1063/1.4938978 Proceedings

2014

  • Local Segmental Dynamics and Stresses in Polystyrene–C60 Mixtures

    G. G. Vogiatzis, D. N. Theodorou

    Macromolecules, 47, 387-404 · doi:10.1021/ma402214r

  • Self-Consistent-Field Study of Adsorption and Desorption Kinetics of Polyethylene Melts on Graphite and Comparison with Atomistic Simulations

    D. N. Theodorou, G. G. Vogiatzis, G. Kritikos

    Macromolecules, 47, 6964-6981 · doi:10.1021/ma501454t

2013

  • Structure of Polymer Layers Grafted to Nanoparticles in Silica–Polystyrene Nanocomposites

    G. G. Vogiatzis, D. N. Theodorou

    Macromolecules, 46, 4670-4683 · doi:10.1021/ma400107q

  • Tracking a glassy polymer on its energy landscape in the course of elastic deformation

    N. Lempesis, G. G. Vogiatzis, G. C. Boulougouris, L. C. V. Breemen, M. Hütter, D. N. Theodorou

    Molecular Physics, 111, 3430-3441 · doi:10.1080/00268976.2013.825018

2011

  • Monte Carlo simulations of a coarse grained model for an athermal all-polystyrene nanocomposite system

    G. G. Vogiatzis, E. Voyiatzis, D. N. Theodorou

    European Polymer Journal, 47, 699-712 · doi:10.1016/j.eurpolymj.2010.09.017