| 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 | 285 | 2002 |
| 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 | 186 | 2006 |
| 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 | 182 | 2002 |
| Combined molecular algorithms for the generation, equilibration and topological analysis of entangled polymers: Methodology and performance NC Karayiannis, M Kröger International journal of molecular sciences 10 (11), 5054-5089, 2009 | 173 | 2009 |
| 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 | 136 | 2004 |
| Influence of nanorod inclusions on structure and primitive path network of polymer nanocomposites at equilibrium and under deformation GN Toepperwein, NC Karayiannis, RA Riggleman, M Kröger, ... Macromolecules 44 (4), 1034-1045, 2011 | 104 | 2011 |
| 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 | 76 | 2005 |
| Structure, dimensions, and entanglement statistics of long linear polyethylene chains K Foteinopoulou, NC Karayiannis, M Laso, M Kröger The Journal of Physical Chemistry B 113 (2), 442-455, 2009 | 74 | 2009 |
| Entropy-driven crystallization in dense systems of athermal chain molecules NC Karayiannis, K Foteinopoulou, M Laso Physical review letters 103 (4), 045703, 2009 | 66 | 2009 |
| Fivefold symmetry as an inhibitor to hard-sphere crystallization NC Karayiannis, R Malshe, JJ de Pablo, M Laso Physical Review E 83 (6), 061505, 2011 | 64 | 2011 |
| An advanced Monte Carlo method for the equilibration of model long-chain branched polymers with a well-defined molecular architecture: Detailed atomistic simulation of an H … NC Karayiannis, AE Giannousaki, VG Mavrantzas The Journal of chemical physics 118 (6), 2451-2454, 2003 | 64 | 2003 |
| Dense and nearly jammed random packings of freely jointed chains of tangent hard spheres NC Karayiannis, M Laso Physical review letters 100 (5), 050602, 2008 | 60 | 2008 |
| Self-consistent-field study of compressible semiflexible melts adsorbed on a solid substrate and comparison with atomistic simulations KC Daoulas, DN Theodorou, VA Harmandaris, NC Karayiannis, ... Macromolecules 38 (16), 7134-7149, 2005 | 58 | 2005 |
| Evolution of fivefold local symmetry during crystal nucleation and growth in dense hard-sphere packings NC Karayiannis, R Malshe, M Kröger, JJ de Pablo, M Laso Soft Matter 8 (3), 844-858, 2012 | 55 | 2012 |
| Modeling of crystal nucleation and growth in athermal polymers: Self-assembly of layered nano-morphologies NC Karayiannis, K Foteinopoulou, CF Abrams, M Laso Soft Matter 6 (10), 2160-2173, 2010 | 55 | 2010 |
| Random packing of model polymers: local structure, topological hindrance and universal scaling M Laso, NC Karayiannis, K Foteinopoulou, ML Mansfield, M Kröger Soft Matter 5 (9), 1762-1770, 2009 | 54 | 2009 |
| Universal scaling, entanglements, and knots of model chain molecules K Foteinopoulou, NC Karayiannis, M Laso, M Kröger, ML Mansfield Physical Review Letters 101 (26), 265702, 2008 | 53 | 2008 |
| Diffusion of small molecules in disordered media: study of the effect of kinetic and spatial heterogeneities NC Karayiannis, VG Mavrantzas, DN Theodorou Chemical engineering science 56 (8), 2789-2801, 2001 | 53 | 2001 |
| The structure of random packings of freely jointed chains of tangent hard spheres NC Karayiannis, K Foteinopoulou, M Laso The Journal of chemical physics 130 (16), 164908, 2009 | 51 | 2009 |
| The characteristic crystallographic element norm: A descriptor of local structure in atomistic and particulate systems NC Karayiannis, K Foteinopoulou, M Laso The Journal of chemical physics 130 (7), 074704, 2009 | 48 | 2009 |
Martin Kröger | KrogerProf. Computational Polymer Physics, ETH ZurichE-mail megerősítve itt: mat.ethz.ch
