- V.G. Mavrantzas, A.N. Beris, “Modeling and simulation of the dilute polymer solution flow behavior next to solid surfaces and interfaces”,
*Polymer Preprints*, Proceedings,*Symposium on Modeling and Computer Simulation,*National Meeting of the American Chemical Society, San Francisco, Vol. 33, pp. 615-619, April 5-10,**1992**. - V.G. Mavrantzas, D.N. Theodorou, “From chain chemical structure to polymer melt elasticity: The implementation of new Monte Carlo techniques”, Proceedings
*, 1*, Patras, Greece, May 29-31,^{st}Panhellenic Chemical Engineers’ Conference**1997**. - V. A. Harmandaris, V.G. Mavrantzas, D.N. Theodorou, “From chemical structure to polymer processing: Atomistic simulation of the viscoelasticity of linear polyethylene melts”, Proceedings
*, 4*, Patras, Greece, November 20-22,^{th}Panhellenic Conference on Polymers**1997**. - M. Apostolakis, J. Hatzinicolaou, V.G. Mavrantzas, “Stress-induced polymer migration effects in the Taylor-Couette device: Numerical calculations with spectral elements”, Proceedings,
*2*, Salonica, Greece, May 27-29,^{nd}Panhellenic Chemical Engineers’ Conference**1999**. - K. Zervopoulou, V.G. Mavrantzas, D.N. Theodorou, “Atomistic simulation of the solubility of small alkanes in long polyethylene melts”, Proceedings
*, 2*, Salonica, Greece, May 27-29,^{nd}Panhellenic Chemical Engineers’ Conference**1999**. - V. A. Harmandaris, V.G. Mavrantzas, D.N. Theodorou, “Atomistic simulation of the stress relaxation experiment after cessation of steady-state uniaxial elongation”, Proceedings,
*2*, Salonica, Greece, May 27-29,^{nd}Panhellenic Chemical Engineers’ Conference**1999**. - V. A. Harmandaris, V.G. Mavrantzas, D.N. Theodorou, “Atomistic Modeling of Viscoelastic Properties: Simulation of stress relaxation upon cessation of steady-state elongational flow”, Proceedings,
*International George Papatheodorou Symposium*, Patras, Greece, September 16-18,**1999.** - V. A. Harmandaris, V.G. Mavrantzas, D.N. Theodorou, “Prediction of the linear viscoelastic properties of long-chain polyethylene melts from detailed atomistic simulations on uniaxially stretched melt configurations”, Proceedings,
*XIII International Congress on Rheology*, pp. 2.76-2.78, Cambridge, UK, August 20-25,**2000**. - V. G. Mavrantzas, A.N. Beris, “Polymer depletion phenomena near a solid surface: Modeling the effect of a shear flow”, Proceedings,
*XIII International Congress on Rheology*, pp. 2.79-2.81, Cambridge, UK, August 20-25,**2000.** - M. Apostolakis, V.G. Mavrantzas, “Polymer diffusion in inhomogeneous flow fields: Pseudospectral calculations in the Taylor-Couette geometry”,
, Volume XVII, Numéro 1, 181-189,__Les Cahiers de Rhéologie__**2000**. - K. Daoulas, A.F. Terzis, V.G. Mavrantzas, “Melts of macromolecules grafted on a hard surface or graphite: Detailed atomistic simulation of their interfacial structure”, Proceedings,
*3*, Athens, Greece, May 31-June 02,^{rd }Panhellenic Chemical Engineers’ Conference**2001**. - V. A. Harmandaris, V.G. Mavrantzas, D.N. Theodorou, “Prediction of the viscoelastic properties of high-molecular weight polymer melts through molecular dynamics atomistic simulations”, Proceedings,
*3*, Athens, Greece, May 31-June 02,^{rd}Panhellenic Chemical Engineers’ Conference**2001**. - M. Apostolakis, V.G. Mavrantzas, A.N. Beris, “Polymer diffusion in the Taylor-Couette geometry: Calculation of the time-dependent basic flow with pseudo-spectral elements”, Proceedings,
*3*, Athens, Greece, May 31-June 02,^{rd}Panhellenic Chemical Engineers’ Conference**2001.** - K. Ch. Daoulas, A.F. Terzis, V.G. Mavrantzas, “Melts of macromolecules grafted on a hard surface or graphite: Detailed atomistic simulation of their interfacial structure”, Proceedings,
*4*, Patras, Greece, June 27-29,^{th}GRACM Congress on Computational Mechanics**2002**. - V.G. Mavrantzas, V.A. Harmandaris, D.N. Theodorou, “Hierarchical Modeling of the viscoelasticity of linear polymer melts”, Proceedings,
*4*, Patras, Greece, June 27-29,^{th}GRACM Congress on Computational Mechanics**2002**. - V. A. Harmandaris, V.G. Mavrantzas, D.N. Theodorou, “Prediction of the viscoelastic properties of polymer from detailed molecular dynamics simulations and comparison against rheological measurements”, Proceedings,
*3*, Thessaloniki, Greece, May 13-15,^{rd}Chemical Engineering Conference for Collaborative Research in Eastern Mediterranean (EMCC-3)**2003.** - K. Foteinopoulou, V.G. Mavrantzas, J. Tsamopoulos, “Numerical calculation of bubble growth in Newtonian and viscoleastic filaments undergoing stretching”, Proceedings, pp. 805-808,
*4*, Patras, Greece, May 29-31,^{th}Panhellenic Chemical Engineers’ Conference**2003**. - K. Daoulas, A.F. Terzis, V.G. Mavrantzas, “A novel method for precisely controlling the chain length distribution in atomistic simulations of inhomogeneous and/or anisotropic polymer systems with chain connectivity-altering Monte Carlo algorithms”, Proceedings, pp. 501-504,
*4*, Patras, Greece, May 29-31,^{th}Panhellenic Chemical Engineers’ Conference**2003**. - G. Tsolou, V.G. Mavrantzas, D.N. Theodorou, “Atomistic molecular dynamics simulations of cis-1,4 polybutadiene melts”, Proceedings, pp. 37-40,
*4*, Patras, Greece, May 29-31,^{th}Panhellenic Chemical Engineers’ Conference**2003.** - K. Ch. Daoulas, V.G. Mavrantzas, “Atomistic Monte Carlo simulation studies of polymer melts grafted on solid substrates”, Proceedings,
*International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2003)*, Kastoria, Greece, September 12-16,**2003**. - K. Ch. Daoulas, V.G. Mavrantzas, “Detailed atomistic simulation of tethered polymer melts”,
*Advances in Science and Technology: Computational Modeling and Simulation of Materials III, Part A*, Edited by: P. Vincenzini and A. Lami), Vol. 42, pp. 605-612,**2004.** - V. A. Harmandaris, K.Ch. Daoulas, V.G. Mavrantzas, “Atomistic simulation of the structure and dynamics of the polyethylene/graphite interface”,
*Advances in Science and Technology: Computational Modeling and Simulation of Materials III, Part A*, Edited by: P. Vincenzini and A. Lami), Vol. 42, pp. 557-564,**2004.** - N. Ch. Karayiannis, V.G. Mavrantzas, “Detailed atomistic simulation of long chain branched polyethylene melts”,
*Advances in Science and Technology: Computational Modeling and Simulation of Materials III, Part A*, Edited by: P. Vincenzini and A. Lami), Vol. 42, pp. 397-404,**2004.** - V.G. Mavrantzas, D.N. Theodorou, H.C. Öttinger, “Thermodynamically founded hierarchical methodologies for the simulation of polymer melts beyond equilibrium: detailed atomistic simulation of polymer melt viscoelasticity”,
*Advances in Science and Technology: Modeling and Simulating materials nanoworld*, Edited by: P. Vincenzini and F. Zerbetto), Vol. 44, pp. 301-307,**2004.** - V.G. Mavrantzas, D.N. Theodorou, H.C. Öttinger, “Thermodynamically founded atomistic Monte Carlo for the simulation of polymer melt viscoelasticity”, Proceedings,
*XIVth International Congress on Rheology,*pp. CR04-1 – CR04-3, Seoul, Korea, August 22-27,**2004.** - N. Ch. Karayiannis, V.G. Mavrantzas, “Detailed atomistic simulation of the conformational and dynamic properties of H-shaped polyethylene melts”, Proceedings,
*XIVth International Congress on Rheology,*pp. MS11-1 – MS11-3, Seoul, Korea, August 22-27,**2004.** - K. Foteinopoulou, V.G. Mavrantzas, J. Tsamopoulos, “Numerical Simulation of cavitation dynamics during the extensional flow of a polymeric filament”, Proceedings,
*FLOW 2004 Meeting*, Athens, Greece, November,**2004**. - O. Alexiadis, K.Ch. Daoulas, V.G. Mavrantzas, “Atomistic Monte Carlo simulation of alkanethiol based self-assembled monolayers on the Au(111) surface”, Proceedings,
*5*, Thessaloniki, Greece, May 26-28,^{th}Panhellenic Chemical Engineers Conference**2005**. - G. Tsolou, V.A. Harmandaris, V.G. Mavrantzas, “Atomistic molecular dynamics simulation of pressure and temperature effects on
*cis*-1,4 polybutadiene and polyethyene”, Proceedings,*5*, Thessaloniki, Greece, May 26-28,^{th}Panhellenic Chemical Engineers Conference**2005.** - N. Ch. Karayiannis, V.G. Mavrantzas, “Calculation of branch point friction and chain reptation time of H-shaped polyethylene melts from long atomistic molecular dynamics simulations”, Proceedings,
*5*, Thessaloniki, Greece, May 26-28,^{th}Panhellenic Chemical Engineers Conference**2005**. - K. Foteinopoulou, V.G. Mavrantzas, J. Tsamopoulos, “Numerical simulation of multi-bubble growth in filaments undergoing stretching”, Proceedings,
*5*, Thessaloniki, Greece, May 26-28,^{th}Panhellenic Chemical Engineers Conference**2005**. - N. Ch. Karayiannis, V.G. Mavrantzas
**,**D.N. Theodorou, “Detailed atomistic simulation of the segmental dynamics and barrier properties of amorphous poly(ethylene terephthalate) and poly(ethylene isophthalate)”, Proceedings,*5*, Thessaloniki, Greece, May 26-28,^{th}Panhellenic Chemical Engineers Conference**2005**. - K. Foteinopoulou, V.G. Mavrantzas, J. Tsamopoulos, “Numerical simulation of multi-bubble growth in filaments undergoing stretching”, Proceedings,
*5*, Limassol, Cyprus, June 29-July 1,^{th}GRACM International Congress on Computational Mechanics**2005.** - V. Soni, J. Abildskov, G. Jonsson, R. Gani, N. Karayiannis, V.G. Mavrantzas, “Structural design of polymers for membrane based separation processes using reverse simulation approach”,
*16*and^{th}European Symposium on Computer Aided Process Engineering (Escape-16)*9*Vol. 21, pp. 689-694, Garmisch-Partenkirchen, Germany, July 09-13,^{th}International Symposium on Process Systems Engineering (PSE 2006), Book Series: Computer-Aided Chemical Engineering,**2006**. - P. S. Stephanou, C. Baig, V.G. Mavrantzas, “Generalizing the Giesekus model so that it can account for chain finite-extensibility effects and analysis of its predictions for polymer melts in viscometric flows”, Proceedings,
*6*^{th}*Panhellenic Chemical Engineers Conference*, Athens, Greece, May 31-June 2,**2007**. - T. C. Satyanarayana, J. Abildskov, R. Gani, G. Tsolou, V.G. Mavrantzas, “Multiscale modelling for computer aided polymer design”, Proceedings,
*10*, Vol. 27, pp. 213-218, Salvador, Brazil, August 16-20,^{th}International Symposium on Process Systems Engineering (PSE 2009), Book Series: Computer-Aided Chemical Engineering**2009**. - C. Baig, P.S. Stephanou, V.G. Mavrantzas, “Multiscale simulation of polymer melt viscoelasticity guided from nonequilibrium statistical thermodynamics: Atomistic nonequilibrium thermodynamics coupled with Monte Carlo in an expanded statistical ensemble”, Proceedings,
*7*^{th}*Panhellenic Chemical Engineers Conference*, Patras, Greece, June 3-5,**2009**. - P. S. Stephanou, C. Baig, G. Tsolou, V.G. Mavrantzas, M. Kröger, “Quantifying chain reptation in entangled polymer melts: Topological and dynamical mapping of atomistic simulation results onto the tube model”, Proceedings,
*7*^{th}*Panhellenic Chemical Engineers Conference*, Patras, Greece, June 3-5,**2009**. - G. Tsolou, V.G. Mavrantzas, “Study of the unique dynamic, barrier and glass tarnsistio properties of polyisobutylene through detailed molecular dynamics simulations”, Proceedings,
*7*^{th}*Panhellenic Chemical Engineers Conference*, Patras, Greece, June 3-5,**2009.** - C. Baig, O. Alexiadis, V.G. Mavrantzas, “Advanced Monte Carlo moves for the atomistic simulation of polymer melts with a variety of molecular architectures”, Proceedings,
*4*, Athens, Greece, July 7-10,^{th}International Conference from Scientific Computing to Computational Engineering (4^{th}IC-SCCE)**2010**. - P. S. Stephanou, C. Baig, G. Tsolou, V.G. Mavrantzas, “Mapping atomistic simulation results for the dynamics of entangled polymer melts onto the tube model of the reptation theory”, Proceedings,
*4*, Athens, Greece, July 7-10,^{th}International Conference from Scientific Computing to Computational Engineering (4^{th}IC-SCCE)**2010**. - G. N. Nomikos, D.I. Kondarides, V.G. Mavrantzas, X.E. Verykios, “Photocatalytic reactor design for energy and environmental applications”
*,*Proceedings,*8*^{th}*Panhellenic Chemical Engineers Conference*, Thessaloniki, Greece, May 26-28,**2011**. - G. N. Nomikos, D.I. Kondarides, V.G. Mavrantzas, X.E. Verykios, “Photocatalytic reactor design for energy and environmental applications”
*,*Proceedings,*2011 International Conference on H*, Thessaloniki, Greece, June 19-22,_{2}production (ICH2P-2011)**2011**. - P. S. Stephanou, C. Baig, V.G. Mavrantzas, “Generalized viscoelastic model for polymer melts guided by principles of non-equilibrium thermodynamics: single- and multi-mode formulations”, Proceedings,
*7*^{th}GRACM International Congress on Computational Mechanics*(7*, Athens, Greece, June 30- July 2,^{th}GRACM)**2011**. - A. Anastasiou, C. Baig, V.G. Mavrantzas, “Non-equilibrium molecular dynamics simulation of the stretching behavior of adhesive polymers”, Proceedings,
*7*^{th}GRACM International Congress on Computational Mechanics*(7*, Athens, Greece, June 30- July 2,^{th}GRACM)**2011**. - D. G. Tsalikis, C. Baig, V.G. Mavrantzas, E. Amanatidis, D. Mataras, “Hierarchical simulation of microcrystalline PECVD silicon film growth and structure”, Proceedings,
*13*Garmisch-Partenkirchen, Germany, September 10 – 14,^{th}International Conference on Plasma Surface Engineering (PSE 2012),**2012**. - D. G. Tsalikis, C. Baig, V.G. Mavrantzas, E. Amanatidis, D. Mataras, “Hierarchical simulation of microcrystalline silicon thin films growth and structure”, Proceedings,
*27*Messe Frankfurt, Germany, September 25-28,^{th}European Photovoltaic Solar Energy Conference and Exhibition (EU PSVEC 2012),**2012**. - P. S. Stephanou, V.G. Mavrantzas, “Improved tube models for the dynamics of entangled polymer melts”, Proceedings,
*FLOW 2012 Meeting*, Volos, Greece, November 16-17,**2012**. - P. S. Stephanou, V.G. Mavrantzas, G.C. Georgiou, “A constitutive equation for the description of the rheological behavior of polymer nanocomposites based on principles of non-equilibrium thermodynamics”, Proceedings,
*FLOW 2012 Meeting*, Volos, Greece, November 16-17,**2012**. - E. N. Skountzos, A. Anastassiou, S. Sabethai, V.G. Mavrantzas, D.N. Theodorou, “Polymer-graphene nanocomposites: atomistic modeling and simulation of their mechanical properties”
*,*Proceedings,*9*^{th}*Panhellenic Chemical Engineers Conference*, Athens, Greece, 23-25 May,**2013**. - P. S. Stephanou, V.G. Mavrantzas, G.C. Georgiou, “A constitutive equation for the description of the rheological behavior of polymer nanocomposites based on principles of non-equilibrium thermodynamics”
*,*Proceedings,*9*^{th}*Panhellenic Chemical Engineers Conference*, Athens, Greece, 23-25 May,**2013**. - P. S. Stephanou, V.G. Mavrantzas, “Modeling at multiple scales of the linear viscoelastic properties of polymer melts: From atoms, to molecules, to primitive paths, to tube models”, Proceedings,
*9*^{th}*Panhellenic Chemical Engineers Conference*, Athens, Greece, 23-25 May,**2013**. __P. V. Alatas__, V.G. Mavrantzas, H.C. Öttinger, “A non-linear thermodynamic master equation for open quantum systems and application to the phenomenon of electromagnetically induced transparency”,*10*^{th}*Panhellenic Chemical Engineers Conference*, Patras, Greece, June 4-6,**2015**.__K. S. Karadima__, V.G. Mavrantzas, S.N. Pandis, “A molecular dynamics simulation study of atmospheric nanoparticles”,*10*^{th}*Panhellenic Chemical Engineers Conference*, Patras, Greece, 4-6 June,**2015**.__P. G. Mermigkis__, D.G. Tsalikis, V.G. Mavrantzas, “Prediction of the effective diffusivity of water inside CNT-based PMMA membranes,*10*^{th}*Panhellenic Chemical Engineers Conference*, Patras, Greece, June 4-6,**2015**.__F. D. Tsourtou__, O. Alexiadis, V.G. Mavrantzas, V. Kolonias, E. Housos, “Atomistic simulation of the bulk phase self-assembly of semifluorinated alkanes”,*10*^{th}*Panhellenic Chemical Engineers Conference*, Patras, Greece, June 4-6,**2015**.- E. N. Skountzos, V.G. Mavrantzas, C. Tsitsilianis, “PMMA/Graphene nanocomposites: Atomistic simulation to predict graphene fine dispersability in polymer composites with the aid of functional PMMA”,
*10*^{th}*Panhellenic Chemical Engineers Conference*, Patras, Greece, June 4-6,**2015**. __D. G. Tsalikis__, V.G. Mavrantzas, D. Vlassopoulos, “Structural, conformational, dynamic and topological properties of ring poly(ethylene oxide) melts from molecular dynamics simulations and compasrion with experimental data”,*8*Volos, Greece, July 12-15^{th}GRACM International Congress on Computational Mechanics,**2015**.__E. N. Skountzos__, V.G. Mavrantzas, C. Tsitsilianis, “Atomistic simulation of pyrene functionalized α,ω-PMMA as dispersing agent of graphene for the fabrication of polymer nanocomposites”,*8th GRACM International Congress on Computational Mechanics,*Volos, Greece, July 12-15**2015**.__P. G. Mermigkis__, D.G. Tsalikis, V.G. Mavrantzas, “Prediction of the effective diffusivity of water inside CNT-based PMMA membranes”,*8th GRACM International Congress on Computational Mechanics,*Volos, Greece, July 12-15**2015**.

- Home
- People
- Research activities
- Atomistic simulation of the dynamics of ring polymers
- Polymer nanocomposites based on graphene
- Constitutive equations for polymer melts guided by principles of nonequilibrium thermodynamics
- Mapping of atomistic simulation results onto the tube model for the dynamics of entangled polymers
- Multiscale modeling and simulation of polymer-based materials for use in microelectronics
- Polymer membranes based on carbon nanotubes
- Hierarchical simulation of microcrystalline PECVD silicon film growth and structure
- Multi-scale modeling of soft nanostructured materials based on polymer adhesives

- Publications
- Projects
- Education
- News