60 selected entries (SCI, 04-05-2024)

Article   [746/83.]	A. Halperin, M. Kröger, F.M. Winnik Poly(N-isopropylacrylamide) phase diagrams: Fifty years of research Angew. Chem. Int. Ed. 54 (2015) 15342-15367    [DOI:10.1002/anie.201506663]
Article   [376/19.]	M. Kröger Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems Comput. Phys. Commun. 168 (2005) 209-232    [10.1016/j.cpc.2005.01.020]
Article   [270/13.]	M. Kröger Simple models for complex nonequilibrium fluids Phys. Rep. 390 (2004) 453-551    [10.1016/j.physrep.2003.10.014]
Article   [255/17.]	R.S. Hoy, K. Foteinopoulou, M. Kröger Topological analysis of polymeric melts: Chain-length effects and fast-converging estimators for entanglement length Phys. Rev. E 80 (2009) 031803    [DOI:10.1103/PhysRevE.80.031803]
Article   [239/26.]	Y. Li, M. Kröger, W.K. Liu Shape effect in cellular uptake of PEGylated nanoparticles: Comparison between sphere, rod, cube and disk Nanoscale 7 (2015) 16631-16646    [DOI:10.1039/C5NR02970H]
Article   [220/7.1]	M. Kröger, W. Loose, S. Hess Rheology and structural changes of polymer melts via nonequilibrium molecular dynamics J. Rheol. 37 (1993) 1057-1079    [10.1122/1.550409]
Article   [201/8.4]	M. Kröger, S. Hess Rheological evidence for a dynamical crossover in polymer melts via nonequilibrium molecular dynamics Phys. Rev. Lett. 85 (2000) 1128-1131    [10.1103/PhysRevLett.85.1128]
Article   [186/10.]	S. Shanbhag, M. Kröger Primitive path networks generated by annealing and geometrical methods: Insights into differences Macromolecules 40 (2007) 2897-2903    [10.1021/ma062457k]
Article   [182/8.7]	V.A. Harmandaris, V.G. Mavrantzas, D.N. Theodorou, M. Kröger, J. Ramírez, H.C. Öttinger, D. Vlassopoulos Crossover from the Rouse to the entangled polymer melt regime: Signals from long, detailed atomistic molecular dynamics simulations, supported by rheological experiments Macromolecules 36 (2003) 1376-1387    [10.1021/ma020009g]
Article   [160/16.]	Y. Li, M. Kröger, W.K. Liu Endocytosis of PEGylated nanoparticles accompanied by structural changes of the grafted polyethylene glycol Biomaterials 35 (2014) 8467-8478    [DOI:10.1016/j.biomaterials.2014.06.032]
Article   [158/13.]	Y. Li, M. Kröger, W.K. Liu Nanoparticle effect on the dynamics of polymer chains and their entanglement network Phys. Rev. Lett. 109 (2012) 118001    [DOI:10.1103/PhysRevLett.109.118001]
Article   [157/14.]	Y. Li, B.C. Abberton, M. Kröger, W.K. Liu Challenges in multiscale modeling of polymer dynamics Polymers 5 (2013) 751-832    [DOI:10.3390/polym5020751]
Article   [153/10.]	N.C. Karayiannis, M. Kröger Combined molecular algorithms for the generation, equilibration and topological analysis of entangled polymers: Methodology and performance Int. J. Mol. Sci. 10 (2009) 5054-5089    [10.3390/ijms10115054]
Article   [146/10.]	C. Baig, V.G. Mavrantzas, M. Kröger Flow effects on the melt structure and entanglement network of linear polymer melts: Results from a nonequilibrium molecular dynamics simulation study of a polyethylene melt in steady shear Macromolecules 43 (2010) 6886-6902    [DOI:10.1021/ma100826u]
Article   [141/7.8]	K. Foteinopoulou, N.C. Karayiannis, V.G. Mavrantzas, M. Kröger Primitive path identification and entanglement statistics in polymer melts: Results from direct topological analysis on atomistic polyethylene models Macromolecules 39 (2006) 4207-4216    [10.1021/ma060306b]
Article   [122/8.1]	Y. Guo, J.D. van Beek, B. Zhang, M. Colussi, P. Walde, A. Zhang, M. Kröger, A. Halperin, A.D. Schlüter Tuning polymer thickness: Synthesis and scaling theory of homologous series of dendronized polymers J. Am. Chem. Soc. 131 (2009) 11841-11854    [10.1021/ja9032132]
Article   [120/10.]	M. Tagliazucchi, O. Peleg, M. Kröger, Y. Rabin, I. Szleifer Effect of charge, hydrophobicity and sequence of nucleoporins on the translocation of model particles through the nuclear pore complex Proc. Natl. Acad. Sci. 110 (2013) 3363-3368    [DOI:10.1073/pnas.1212909110]
Article   [116/4.3]	M. Kröger, C. Luap, R. Muller Polymer melts under uniaxial elongational flow: stress-optical behavior from experiments and NEMD computer simulations Macromolecules 30 (1997) 526-539    [10.1021/ma960317c]
Book   [115/6.0]	M. Kröger Models for polymeric and anisotropic liquids Monography within the series Lecture Notes in Physics, Vol. 675 Springer, New York (2005)    [DOI:10.1007/b105182]
Article   [110/5.0]	M. Ellero, M. Kröger, S. Hess Viscoelastic flows studied by Smoothed Particle Dynamics J. Non-Newtonian Fluid Mech. 105 (2002) 35-51    [10.1016/S0377-0257(02)00059-9]
Article   [106/8.8]	Y. Li, S. Tang, B.C. Abberton, M. Kröger, C. Burkhart, B. Jiang, G.J. Papakonstantopoulos, M. Poldneff, W.K. Liu A predictive multiscale computational framework on viscoelastic properties of linear polymers Polymer 53 (2012) 5935-5952    [DOI:10.1016/j.polymer.2012.09.055]
Article   [106/8.2]	B. Zhang, R. Wepf, K. Fischer, M. Schmidt, S. Besse, P. Lindner, B.T. King, R. Sigel, P. Schurtenberger, Y. Talmon, Y. Ding, M. Kröger, A. Halperin, A.D. Schlüter The largest synthetic structure with molecular precision: Towards a molecular object Angew. Chem. Int. Ed. 50 (2011) 737-740    [DOI:10.1002/anie.201005164]
Article   [103/7.4]	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 J. Chem. Phys. 132 (2010) 124904    [DOI:10.1063/1.3361674]
Article   [102/4.0]	C. Aust, M. Kröger, S. Hess Structure and dynamics of dilute polymer solutions under shear flow via nonequilibrium molecular dynamics Macromolecules 32 (1999) 5660-5672    [10.1021/ma981683u]
Article   [102/4.2]	J. Fang, M. Kröger, H.C. Öttinger A thermodynamically admissible reptation model for fast flows of entangled polymers. II. Model predictions for shear and extensional flows J. Rheol. 44 (2000) 1293-1317    [10.1122/1.1308522]
Article   [100/12.]	A. Karatrantos, N. Clarke, M. Kröger Modeling of polymer structure and conformations in polymer nanocomposites from atomistic to mesoscale: A Review Polym. Rev. 56 (2016) 385-428    [DOI:10.1080/15583724.2015.1090450]
Article   [100/8.3]	Y. Li, M. Kröger, W.K. Liu Nanoparticle geometrical effect on structure, dynamics and anisotropic viscosities of polyethylene nanocomposites Macromolecules 45 (2012) 2099-2112    [DOI:10.1021/ma202289a]
Article   [98/8.9]	M.B. Harasim, B. Wunderlich, O. Peleg, M. Kröger, A.R. Bausch Direct observation of the dynamics of semiflexible polymers in shear flow Phys. Rev. Lett. 110 (2013) 108302    [DOI:10.1103/PhysRevLett.110.108302]
Article   [92/7.7]	Y. Li, M. Kröger A theoretical evaluation of the effects of carbon nanotube entanglement and bundling on structural and mechanical properties of buckypaper Carbon 50 (2012) 1793-1806    [DOI:10.1016/j.carbon.2011.12.027]
Article   [90/6.9]	G.N. Toepperwein, N.C. Karayiannis, R.A. Riggleman, M. Kröger, J.J. de Pablo Influence of nanorod inclusions on structure and primitive path network of polymer nanocomposites at equilibrium and under deformation Macromolecules 44 (2011) 1034-1045    [DOI:10.1021/ma102741r]
Article   [89/6.8]	O. Peleg, M. Tagliazucchi, M. Kröger, Y. Rabin, I. Szleifer Morphology control of hairy nanopores ACS Nano 5 (2011) 4737-4747    [DOI:10.1021/nn200702u]
Article   [84/10.]	Y. Li, S. Tang, M. Kröger, W.K. Liu Molecular simulation guided constitutive modeling on finite strain viscoelasticity of elastomers J. Mech. Phys. Solids 88 (2016) 204-226    [DOI:10.1016/j.jmps.2015.12.007]
Article   [82/6.3]	A. Halperin, M. Kröger Collapse of thermoresponsive brushes and the tuning of protein adsorption Macromolecules 44 (2011) 6986-7005    [DOI:10.1021/ma201006h]
Article   [79/5.6]	M. Kröger, O. Peleg, A. Halperin From dendrimers to dendronized polymers and forests: Scaling theory and its limitations Macromolecules 43 (2010) 6213-6224    [DOI:10.1021/ma100861b]
Article   [78/2.7]	M. Kröger, R. Makhloufi Wormlike micelles under shear flow: a microscopic model studied by nonequilibrium molecular dynamics computer simulations Phys. Rev. E 53 (1996) 2531-2536    [10.1103/PhysRevE.53.2531]
Article   [78/6.0]	L. Isa, E. Amstad, K. Schwenke, E. del Gado, P. Ilg, M. Kröger, E. Reimhult Adsorption of core-shell nanoparticles at liquid-liquid interfaces Soft Matter 7 (2011) 7663-7675    [DOI:10.1039/c1sm05407d]
Article   [73/7.3]	Y. Li, M. Kröger, W.K. Liu Dynamic structure of unentangled polymer chains in the vicinity of non-attractive nanoparticles Soft Matter 10 (2014) 1723-1737    [DOI:10.1039/c3sm51564h]
Article   [70/10.]	C. Luo, M. Kröger, J.-U. Sommer Molecular dynamics simulations of polymer crystallization under confinement: Entanglement effect Polymer 109 (2017) 71-84    [DOI:10.1016/j.polymer.2016.12.011]
Article   [68/7.6]	M. Kröger Simple, admissible, and accurate approximants of the inverse Langevin and Brillouin functions, relevant for strong polymer deformations and flows J. Non-Newtonian Fluid Mech. 223 (2015) 77-87    [DOI:10.1016/j.jnnfm.2015.05.007]
Article   [68/5.2]	A. Halperin, M. Kröger, E.B. Zhulina Colloid-brush interactions: The effect of solvent quality Macromolecules 44 (2011) 3622-3638    [DOI:10.1021/ma200068d]
Article   [66/2.7]	M. Kröger, A. Alba, M. Laso, H.C. Öttinger Variance reduced Brownian simulation of a bead-spring chain under steady shear flow considering hydrodynamic interaction effects J. Chem. Phys. 113 (2000) 4767-4773    [10.1063/1.1288803]
Article   [62/2.8]	G. Rienäcker, M. Kröger, S. Hess Chaotic orientational behavior of a nematic liquid crystal subjected to a steady shear flow Phys. Rev. E 66 (2002) 040702 (4 pages)    [10.1103/PhysRevE.66.040702]
Article   [60/10.]	V. Müller, A. Hinaut, M. Moradi, M. Baljozovic, T. Jung, P. Shahgaldian, H. Möhwald, D. Murray, W.B. Thompson, B.T. King, G. Hofer, M. Kröger, T. Glatzel, A.D. Schlüter A two-dimensional polymer synthesized at the air/water interface Angew. Chem. Int. Ed. 57 (2018) 10584-10588    [DOI:10.1002/anie.201804937]
Article   [60/4.0]	A. Halperin, M. Kröger Ternary protein adsorption onto brushes: Strong versus weak Langmuir 25 (2009) 11621-11634    [10.1021/la9008569]
Article   [60/4.0]	K. Foteinopoulou, N.C. Karayiannis, M. Laso, M. Kröger Structure, dimensions, and entanglement statistics of long linear polyethylene chains J. Phys. Chem. B 113 (2009) 442-455    [10.1021/jp808287s]
Article   [57/2.0]	F. Affouard, M. Kröger, S. Hess Molecular dynamics of model liquid crystals composed of semiflexible molecules Phys. Rev. E 54 (1996) 5178-5186    [10.1103/PhysRevE.54.5178]
Article   [57/4.4]	Y. Li, M. Kröger, W.K. Liu Primitive chain network study on uncrosslinked and crosslinked cis-polyisoprene polymers Polymer 52 (2011) 5867-5878    [DOI:10.1016/j.polymer.2011.10.044]
Article   [55/6.9]	C. Luo, M. Kröger, J.-U. Sommer Entanglements and crystallization of concentrated polymer solutions: molecular dynamics simulations Macromolecules 49 (2016) 9017-9025    [DOI:10.1021/acs.macromol.6b02124]
Article   [54/2.4]	G. Rienäcker, M. Kröger, S. Hess Chaotic and regular shear-induced orientational dynamics of nematic liquid crystals Physica A 315 (2002) 537-568    [10.1016/S0378-4371(02)01008-7]
Article   [53/8.9]	Z. Shen, H. Ye, M. Kröger, Y. Li Aggregation of polyethylene glycol polymers suppresses receptor-mediated endocytosis of PEGylated liposomes Nanoscale 10 (2018) 4545-4560    [DOI:10.1039/c7nr09011k]
Article   [53/5.3]	A.D. Schlüter, A. Halperin, M. Kröger, D. Vlassopoulos, G. Wegner, B. Zhang Dendronized polymers: Molecular objects between conventional linear polymers and colloidal particles ACS Macro Lett. 3 (2014) 991-998    [DOI:10.1021/mz500376e]
Article   [52/3.2]	J.M. Kim, D.J. Keffer, M. Kröger, B.J. Edwards Rheological and entanglement characteristics of linear chain polyethylene liquids in planar Couette and planar elongational flows J. Non-Newtonian Fluid Mech. 152 (2008) 168-183    [10.1016/j.jnnfm.2007.03.005]
Article   [51/2.6]	P. Ilg, M. Kröger, S. Hess Magnetoviscosity of semidilute ferrofluids and the role of dipolar interactions: Comparison of molecular simulation and dynamical mean-field theory Phys. Rev. E 71 (2005) 031205 (11 pages)    [10.1103/PhysRevE.71.031205]
Article   [50/5.6]	M.K. Singh, P. Ilg, R. M. Espinosa-Marzal, M. Kröger, N.D. Spencer Polymer brushes under shear: Molecular dynamics simulations compared to experiments Langmuir 31 (2015) 4798-4805    [DOI:10.1021/acs.langmuir.5b00641]
Article   [50/4.1]	A. Halperin, M. Kröger Theoretical considerations on mechanisms of harvesting cells cultured on thermoresponsive polymer brushes Biomaterials 33 (2012) 4975-4987 [Leading opinion paper]    [DOI:10.1016/j.biomaterials.2012.03.060]
Article   [50/3.1]	K. Foteinopoulou, N.C. Karayiannis, M. Laso, M. Kröger, M.L. Mansfield Universal scaling, entanglements, and knots of model chain molecules Phys. Rev. Lett. 101 (2008) 265702 (4 pages) article also included in the Virtual J. Quant. Info. 9:1 (2009)] [article also included in the Virtual J. Biol. Phys. 17:1 (2009)]    [10.1103/PhysRevLett.101.265702]
Article   [49/1.8]	S. Hess, M. Kröger, H. Voigt Thermo-mechanical properties of the WCA-Lennard-Jones model system in its fluid and solid states. Physica A 250 (1998) 58-82    [10.1016/S0378-4371(97)00612-2]
Article   [49/12.]	M. Kröger, R. Schlickeiser Analytical solution of the SIR-model for the temporal evolution of epidemics. Part A: Time-independent reproduction factor J. Phys. A: Math. Theor. 53 (2020) 505601    [DOI:10.1088/1751-8121/abc65d]
Article   [47/2.1]	P. Ilg, M. Kröger Magnetization dynamics, rheology, and an effective description of ferromagnetic units in dilute suspension Phys. Rev. E 66 (2002) 021501 (16 pages)    [10.1103/PhysRevE.66.021501]
Article   [47/2.9]	M. Kröger, A. Ammar, F. Chinesta Consistent closure schemes for statistical models of anisotropic fluids J. Non-Newtonian Fluid Mech. 149 (2008) 40-55    [10.1016/j.jnnfm.2007.05.007]