Professor of Chemical Engineering, University of Patras & ETH Zurich
Verified email at chemeng.upatras.gr
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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
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
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
Atomistic molecular dynamics simulation of polydisperse linear polyethylene melts
VA Harmandaris, VG Mavrantzas, DN Theodorou
Macromolecules 31 (22), 7934-7943, 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
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
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
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
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
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
Detailed Atomistic Molecular Dynamics Simulation of cis-1,4-Poly(butadiene)
G Tsolou, VG Mavrantzas, DN Theodorou
Macromolecules 38 (4), 1478-1492, 2005
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
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), 124904, 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
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
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
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
Atomistic Monte Carlo simulations of polymer melt elasticity: Their nonequilibrium thermodynamics GENERIC formulation in a generalized canonical ensemble
VG Mavrantzas, HC Öttinger
Macromolecules 35 (3), 960-975, 2002
Hierarchical modeling of the dynamics of polymers with a nonlinear molecular architecture: Calculation of branch point friction and chain reptation time of H-shaped …
NC Karayiannis, VG Mavrantzas
Macromolecules 38 (20), 8583-8596, 2005
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
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