Progress and Outlook in Monte Carlo SimulationsTHEODOROU, Doros N.Industrial & engineering chemistry research. 2010, Vol 49, Num 7, pp 3047-3058, issn 0888-5885, 12 p.Article

Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolitesJOBIC, Hervé; THEODOROU, Doros N.Microporous and mesoporous materials. 2007, Vol 102, Num 1-3, pp 21-50, issn 1387-1811, 30 p.Article

Microscopic Description of Entanglements in Polyethylene Networks and Melts: Strong, Weak, Pairwise, and Collective AttributesANOGIANNAKIS, Stefanos D; TZOUMANEKAS, Christos; THEODOROU, Doros N et al.Macromolecules (Print). 2012, Vol 45, Num 23, pp 9475-9492, issn 0024-9297, 18 p.Article

Prediction of Sorption of CO₂ in Glassy Atactic Polystyrene at Elevated Pressures Through a New Computational SchemeSPYRIOUNI, Theodora; BOULOUGOURIS, Georgios C; THEODOROU, Doros N et al.Macromolecules (Print). 2009, Vol 42, Num 5, pp 1759-1769, issn 0024-9297, 11 p.Article

Coarse grained end bridging Monte Carlo simulations of poly(ethylene terephthalate) meltKAMIO, Kazunori; MOORTHI, Krzysztof; THEODOROU, Doros N et al.Macromolecules. 2007, Vol 40, Num 3, pp 710-722, issn 0024-9297, 13 p.Article

Self-Consistent-Field Study of Adsorption and Desorption Kinetics of Polyethylene Melts on Graphite and Comparison with Atomistic SimulationsTHEODOROU, Doros N; VOGIATZIS, Georgios G; KRITIKOS, Georgios et al.Macromolecules (Print). 2014, Vol 47, Num 19, pp 6964-6981, issn 0024-9297, 18 p.Article

Monte Carlo Simulation of Short Chain Branched Polyolefins in the Molten StateRAMOS, Javier; PERISTERAS, Loukas D; THEODOROU, Doros N et al.Macromolecules. 2007, Vol 40, Num 26, pp 9640-9650, issn 0024-9297, 11 p.Article

Detailed atomistic molecular dynamics simulation of cis-1,4-poly(butadiene)TSOLOU, Georgia; MAVRANTZAS, Vlasis G; THEODOROU, Doros N et al.Macromolecules. 2005, Vol 38, Num 4, pp 1478-1492, issn 0024-9297, 15 p.Article

Coarse-grained molecular simulation of penetrant diffusion in a glassy polymer using reverse and kinetic Monte CarloGREENFIELD, Michael L; THEODOROU, Doros N.Macromolecules. 2001, Vol 34, Num 24, pp 8541-8553, issn 0024-9297Article

Crystallization and Melting Simulations of Oligomeric α1 Isotactic PolypropyleneROMANOS, Nikolaos A; THEODOROU, Doros N.Macromolecules (Print). 2010, Vol 43, Num 12, pp 5455-5469, issn 0024-9297, 15 p.Article

Diffusion in MicroporesSTALLMACH, Frank; SNURR, Randall; THEODOROU, Doros et al.Microporous and mesoporous materials. 2009, Vol 125, Num 1-2, issn 1387-1811, 170 p.Serial Issue

Entanglement network of the polypropylene/polyamide interface. 3. Deformation to fractureTERZIS, Andreas F; THEODOROU, Doros N; STROEKS, Alexander et al.Macromolecules. 2002, Vol 35, Num 2, pp 508-521, issn 0024-9297Article

Segmental and chain dynamics of isotactic polypropylene meltsLOGOTHETI, Georgia Evangelia; THEODOROU, Doros N.Macromolecules. 2007, Vol 40, Num 6, pp 2235-2245, issn 0024-9297, 11 p.Article

Connectivity-altering Monte Carlo simulations of the end group effects on volumetric properties for poly(ethylene oxide)WICK, Collin D; THEODOROU, Doros N.Macromolecules. 2004, Vol 37, Num 18, pp 7026-7033, issn 0024-9297, 8 p.Article

Determination of the polymer tacticity from calculation of infrared spectra based on classical molecular simulationsSOLDERA, A.Die Makromolekulare Chemie. Macromolecular symposia. 1998, pp 11-20, issn 0258-0322, isbn 3-527-29801-0Conference Paper

EPF 96 : 6th European Polymer Federation symposium on polymeric materials (Aghia Pelaghia Crete, October 7-11, 1996)Hadjichristidis, Nikos; Fytas, Georges; Theodorou, Doros et al.Die Makromolekulare Chemie. Macromolecular symposia. 1997, issn 0258-0322, isbn 3-85739-318-1, 277 p., isbn 3-85739-318-1Conference Proceedings

Significance of different modes in dynamics of chains in a dense mediumERMAN, B.Die Makromolekulare Chemie. Macromolecular symposia. 1997, pp 163-173, issn 0258-0322, isbn 3-85739-318-1Conference Paper

Comparison between the glass transition temperatures of the two PMMA tacticities : A molecular dynamics simulation point of viewSOLDERA, A.Die Makromolekulare Chemie. Macromolecular symposia. 1998, pp 21-32, issn 0258-0322, isbn 3-527-29801-0Conference Paper

Micro/mesoscopic approaches to the ring formation in linear wormlike micellar systemsKRÖGER, M.Die Makromolekulare Chemie. Macromolecular symposia. 1998, pp 101-112, issn 0258-0322, isbn 3-527-29801-0Conference Paper

Colloidal properties of star polymersROOVERS, J.Die Makromolekulare Chemie. Macromolecular symposia. 1997, pp 89-93, issn 0258-0322, isbn 3-85739-318-1Conference Paper

Surface anchored polymer: Role in adhesion and frictionLEGER, L.Die Makromolekulare Chemie. Macromolecular symposia. 1997, pp 263-267, issn 0258-0322, isbn 3-85739-318-1Conference Paper

Diffusion in porous functional materials: Zeolite gas separation membranes, proton exchange membrane fuel cells, dye sensitized solar cellsCARO, J.Microporous and mesoporous materials. 2009, Vol 125, Num 1-2, pp 79-84, issn 1387-1811, 6 p.Article

Structure and volumetric properties of linear and triarm star polyethylenes from atomistic Monte Carlo simulation using new internal rearrangement movesPERISTERAS, Loukas D; ECONOMOU, Ioannis G; THEODOROU, Doros N et al.Macromolecules. 2005, Vol 38, Num 2, pp 386-397, issn 0024-9297, 12 p.Article

Monte Carlo simulations of a coarse grained model for an athermal all-polystyrene nanocomposite systemVOGIATZIS, Georgios G; VOYIATZIS, Evangelos; THEODOROU, Doros N et al.European polymer journal. 2011, Vol 47, Num 4, pp 699-712, issn 0014-3057, 14 p.Article

Experimental and self-consistent-field theoretical study of styrene block copolymer self-adhesive materialsDAOULAS, Kostas Ch; THEODOROU, Doros N; ROOS, Alexandra et al.Macromolecules. 2004, Vol 37, Num 13, pp 5093-5109, issn 0024-9297, 17 p.Article