| End-bridging Monte Carlo: A fast algorithm for atomistic simulation of condensed phases of long polymer chains VG Mavrantzas, TD Boone, E Zervopoulou, DN Theodorou Macromolecules 32 (15), 5072-5096, 1999 | 338 | 1999 |
| A novel Monte Carlo scheme for the rapid equilibration of atomistic model polymer systems of precisely defined molecular architecture NC Karayiannis, VG Mavrantzas, DN Theodorou Physical review letters 88 (10), 105503, 2002 | 303 | 2002 |
| Crossover from the rouse to the entangled polymer melt regime: signals from long, detailed atomistic molecular dynamics simulations, supported by rheological experiments VA Harmandaris, VG Mavrantzas, DN Theodorou, M Kröger, J Ramirez, ... Macromolecules 36 (4), 1376-1387, 2003 | 283 | 2003 |
| Atomistic molecular dynamics simulation of polydisperse linear polyethylene melts VA Harmandaris, VG Mavrantzas, DN Theodorou Macromolecules 31 (22), 7934-7943, 1998 | 241 | 1998 |
| Detailed atomistic simulation of a polymer melt/solid interface: structure, density, and conformation of a thin film of polyethylene melt adsorbed on graphite KC Daoulas, VA Harmandaris, VG Mavrantzas Macromolecules 38 (13), 5780-5795, 2005 | 233 | 2005 |
| Flow effects on melt structure and entanglement network of linear polymers: Results from a nonequilibrium molecular dynamics simulation study of a polyethylene melt in steady shear C Baig, VG Mavrantzas, M Kroger Macromolecules 43 (16), 6886-6902, 2010 | 206 | 2010 |
| Primitive path identification and entanglement statistics in polymer melts: Results from direct topological analysis on atomistic polyethylene models K Foteinopoulou, NC Karayiannis, VG Mavrantzas, M Kröger Macromolecules 39 (12), 4207-4216, 2006 | 206 | 2006 |
| Molecular dynamics simulation of a polymer melt/solid interface: Local dynamics and chain mobility in a thin film of polyethylene melt adsorbed on graphite VA Harmandaris, KC Daoulas, VG Mavrantzas Macromolecules 38 (13), 5796-5809, 2005 | 206 | 2005 |
| Atomistic Monte Carlo simulation of strictly monodisperse long polyethylene melts through a generalized chain bridging algorithm NC Karayiannis, AE Giannousaki, VG Mavrantzas, DN Theodorou The Journal of chemical physics 117 (11), 5465-5479, 2002 | 193 | 2002 |
| Atomistic simulation of polymer melt elasticity: Calculation of the free energy of an oriented polymer melt VG Mavrantzas, DN Theodorou Macromolecules 31 (18), 6310-6332, 1998 | 177 | 1998 |
| Detailed atomistic simulation of the segmental dynamics and barrier properties of amorphous poly (ethylene terephthalate) and poly (ethylene isophthalate) NC Karayiannis, VG Mavrantzas, DN Theodorou Macromolecules 37 (8), 2978-2995, 2004 | 167 | 2004 |
| Melt structure and dynamics of unentangled polyethylene rings: Rouse theory, atomistic molecular dynamics simulation, and comparison with the linear analogues G Tsolou, N Stratikis, C Baig, PS Stephanou, VG Mavrantzas Macromolecules 43 (24), 10692-10713, 2010 | 156 | 2010 |
| Detailed Atomistic Molecular Dynamics Simulation of cis-1,4-Poly(butadiene) G Tsolou, VG Mavrantzas, DN Theodorou Macromolecules 38 (4), 1478-1492, 2005 | 151 | 2005 |
| Quantifying chain reptation in entangled polymer melts: Topological and dynamical mapping of atomistic simulation results onto the tube model PS Stephanou, C Baig, G Tsolou, VG Mavrantzas, M Kröger The Journal of chemical physics 132 (12), 2010 | 140 | 2010 |
| Detailed molecular dynamics simulation of the self-diffusion of n-alkane and cis-1,4 polyisoprene oligomer melts VA Harmandaris, M Doxastakis, VG Mavrantzas, DN Theodorou The Journal of chemical physics 116 (1), 436-446, 2002 | 124 | 2002 |
| All-atom molecular dynamics simulation of temperature effects on the structural, thermodynamic, and packing properties of the pure amorphous and pure crystalline phases of … O Alexiadis, VG Mavrantzas Macromolecules 46 (6), 2450-2467, 2013 | 116 | 2013 |
| Analysis of slow modes in ring polymers: Threading of rings controls long-time relaxation DG Tsalikis, VG Mavrantzas, D Vlassopoulos ACS Macro Letters 5 (6), 755-760, 2016 | 111 | 2016 |
| On the compatibility between various macroscopic formalisms for the concentration and flow of dilute polymer solutions AN Beris, VG Mavrantzas Journal of Rheology 38 (5), 1235-1250, 1994 | 109 | 1994 |
| Determination of the mechanical properties of a poly (methyl methacrylate) nanocomposite with functionalized graphene sheets through detailed atomistic simulations EN Skountzos, A Anastassiou, VG Mavrantzas, DN Theodorou Macromolecules 47 (22), 8072-8088, 2014 | 103 | 2014 |
| Structure and dynamics of polymer rings by neutron scattering: breakdown of the Rouse model AR Brás, R Pasquino, T Koukoulas, G Tsolou, O Holderer, A Radulescu, ... Soft Matter 7 (23), 11169-11176, 2011 | 92 | 2011 |
Doros TheodorouProfessor of Chemical Engineering, National Technical University of AthensVerified email at central.ntua.gr
