| Structure of polymer layers grafted to nanoparticles in silica–polystyrene nanocomposites GG Vogiatzis, DN Theodorou Macromolecules 46 (11), 4670-4683, 2013 | 122 | 2013 |
| Local Segmental Dynamics and Stresses in Polystyrene–C60 Mixtures GG Vogiatzis, DN Theodorou Macromolecules 47 (1), 387-404, 2014 | 107 | 2014 |
| Monte Carlo simulations of a coarse grained model for an athermal all-polystyrene nanocomposite system GG Vogiatzis, E Voyiatzis, DN Theodorou European polymer journal 47 (4), 699-712, 2011 | 80 | 2011 |
| Multiscale molecular simulations of polymer-matrix nanocomposites: or what molecular simulations have taught us about the fascinating nanoworld GG Vogiatzis, DN Theodorou Archives of Computational Methods in Engineering 25, 591-645, 2018 | 69 | 2018 |
| Equation of state based slip spring model for entangled polymer dynamics GG Vogiatzis, G Megariotis, DN Theodorou Macromolecules 50 (7), 3004-3029, 2017 | 64 | 2017 |
| Molecular simulations of free and graphite capped polyethylene films: estimation of the interfacial free energies AP Sgouros, GG Vogiatzis, G Kritikos, A Boziki, A Nikolakopoulou, ... Macromolecules 50 (21), 8827-8844, 2017 | 56 | 2017 |
| Slip spring-based mesoscopic simulations of polymer networks: Methodology and the corresponding computational code G Megariotis, GG Vogiatzis, AP Sgouros, DN Theodorou Polymers 10 (10), 1156, 2018 | 33 | 2018 |
| Molecular dynamics study of polyethylene under extreme confinement G Kritikos, A Sgouros, GG Vogiatzis, DN Theodorou Journal of Physics: Conference Series 738 (1), 012012, 2016 | 33 | 2016 |
| 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, GG Vogiatzis, MG De Angelis, DN Theodorou Macromolecules 53 (10), 3669-3689, 2020 | 31 | 2020 |
| Multiscale simulations of PS–SiO 2 nanocomposites: from melt to glassy state IG Mathioudakis, GG Vogiatzis, C Tzoumanekas, DN Theodorou Soft Matter 12 (36), 7585-7605, 2016 | 30 | 2016 |
| Application of bi-Helmholtz nonlocal elasticity and molecular simulations to the dynamical response of carbon nanotubes CC Koutsoumaris, GG Vogiatzis, DN Theodorou, GJ Tsamasphyros AIP Conference Proceedings 1702 (1), 2015 | 28 | 2015 |
| Self-consistent-field study of adsorption and desorption kinetics of polyethylene melts on graphite and comparison with atomistic simulations DN Theodorou, GG Vogiatzis, G Kritikos Macromolecules 47 (19), 6964-6981, 2014 | 28 | 2014 |
| Multiscale simulations of graphite-capped polyethylene melts: brownian dynamics/kinetic Monte Carlo compared to atomistic calculations and experiment AP Sgouros, GG Vogiatzis, G Megariotis, C Tzoumanekas, DN Theodorou Macromolecules 52 (19), 7503-7523, 2019 | 27 | 2019 |
| Tracking a glassy polymer on its energy landscape in the course of elastic deformation N Lempesis, GG Vogiatzis, GC Boulougouris, LCA van Breemen, M Hütter, ... Molecular Physics 111 (22-23), 3430-3441, 2013 | 27 | 2013 |
| Physical ageing of polystyrene: Does tacticity play a role? K Grigoriadi, JBHM Westrik, GG Vogiatzis, LCA van Breemen, ... Macromolecules 52 (15), 5948-5954, 2019 | 25 | 2019 |
| Thermal conductivity of amorphous polymers and its dependence on molecular weight A Kiessling, DN Simavilla, GG Vogiatzis, DC Venerus Polymer 228, 123881, 2021 | 18 | 2021 |
| Molecular modeling and simulation of polymer nanocomposites at multiple length scales IG Mathioudakis, GG Vogiatzis, C Tzoumanekas, DN Theodorou IEEE Transactions on Nanotechnology 15 (3), 416-422, 2016 | 18 | 2016 |
| Mesoscopic simulations of crosslinked polymer networks G Megariotis, GG Vogiatzis, L Schneider, M Müller, DN Theodorou Journal of Physics: Conference Series 738 (1), 012063, 2016 | 14 | 2016 |
| Free energy calculations by molecular simulations of deformed polymer glasses GG Vogiatzis, LCA van Breemen, DN Theodorou, M Hütter Computer Physics Communications 249, 107008, 2020 | 10 | 2020 |
| Structural transitions in glassy atactic polystyrene using transition-state theory GG Vogiatzis, LCA van Breemen, M Hutter The Journal of Physical Chemistry B 125 (26), 7273-7289, 2021 | 8 | 2021 |
Doros TheodorouProfessor of Chemical Engineering, National Technical University of AthensVerified email at central.ntua.gr
