| 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 | 300 | 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 | 198 | 2009 |
| 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 | 190 | 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 | 190 | 2002 |
| 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 | 154 | 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 | 111 | 2011 |
| 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 | 80 | 2009 |
| 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 | 79 | 2005 |
| Entropy-driven crystallization in dense systems of athermal chain molecules NC Karayiannis, K Foteinopoulou, M Laso Physical review letters 103 (4), 045703, 2009 | 77 | 2009 |
| 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 | 68 | 2003 |
| Fivefold symmetry as an inhibitor to hard-sphere crystallization NC Karayiannis, R Malshe, JJ de Pablo, M Laso Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 83 (6 …, 2011 | 67 | 2011 |
| 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 | 66 | 2008 |
| 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), 2009 | 62 | 2009 |
| 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 | 61 | 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 | 60 | 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 | 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 | 60 | 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 | 58 | 2012 |
| 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), 2009 | 56 | 2009 |
| 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 | 56 | 2001 |
Martin Kröger | KrogerProf. Computational Polymer Physics, ETH ZurichVerified email at mat.ethz.ch