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The Journal of Chemical Physics 130 (17) 174901 (2009)
DOI: 10.1063/1.3126651
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Effect of bending and torsion rigidity on self-diffusion in polymer melts: A molecular-dynamics study

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The Journal of Chemical Physics 123 (11) 114901 (2005)
DOI: 10.1063/1.2035086
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Diagram of states and morphologies of flexible-semiflexible copolymer chains: A Monte Carlo simulation

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Flexible chain molecules in the marginal and concentrated regimes: Universal static scaling laws and cross-over predictions

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The Journal of Chemical Physics 128 (17) 174901 (2008)
DOI: 10.1063/1.2912189
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Anomalous size-dependence of interfacial profiles between coexisting phases of polymer mixtures in thin-film geometry: A Monte Carlo simulation

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The Journal of Chemical Physics 107 (19) 8175 (1997)
DOI: 10.1063/1.475118
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Molecular and Mesoscale Simulation Methods for Polymer Materials

Sharon C. Glotzer and Wolfgang Paul
Annual Review of Materials Research 32 (1) 401 (2002)
DOI: 10.1146/annurev.matsci.32.010802.112213
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Applications of Monte Carlo methods to statistical physics

K Binder
Reports on Progress in Physics 60 (5) 487 (1997)
DOI: 10.1088/0034-4885/60/5/001
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Interfaces between coexisting phases in polymer mixtures: What can we learn from Monte Carlo simulations?

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Macromolecular Symposia 139 (1) 1 (1999)
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Chain Motion in an Unentangled Polyethylene Melt: A Critical Test of the Rouse Model by Molecular Dynamics Simulations and Neutron Spin Echo Spectroscopy

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Physical Review Letters 80 (11) 2346 (1998)
DOI: 10.1103/PhysRevLett.80.2346
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Local structure of model polymeric fluids: Hard‐sphere chains and the three‐dimensional fluctuating bond model

Arun Yethiraj and Ronald Dickman
The Journal of Chemical Physics 97 (6) 4468 (1992)
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On the equation of state for thermal polymer solutions and melts

M. Wolfgardt, J. Baschnagel and K. Binder
The Journal of Chemical Physics 103 (16) 7166 (1995)
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Monte Carlo simulation of the glass transition in two- and three-dimensional polymer melts

B. Lobe, J. Baschnagel and K. Binder
Journal of Non-Crystalline Solids 172-174 384 (1994)
DOI: 10.1016/0022-3093(94)90461-8
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Dense orientationally ordered states of a single semiflexible macromolecule: An expanded ensemble Monte Carlo simulation

J. A. Martemyanova, M. R. Stukan, V. A. Ivanov, et al.
The Journal of Chemical Physics 122 (17) 174907 (2005)
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Structure of Bottle Brush Polymers on Surfaces: Weak versus Strong Adsorption

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The Journal of Physical Chemistry B 115 (48) 14116 (2011)
DOI: 10.1021/jp204006z
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Elastic behavior of uniform star polymer chains

Yu Shen and Linxi Zhang
European Polymer Journal 41 (7) 1596 (2005)
DOI: 10.1016/j.eurpolymj.2005.02.009
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The phase diagram of a single polymer chain: New insights from a new simulation method

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Journal of Polymer Science Part B: Polymer Physics 44 (18) 2542 (2006)
DOI: 10.1002/polb.20908
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Small-Angle Excess Scattering: Glassy Freezing or Local Orientational Ordering?

H. Weber, W. Paul, W. Kob and K. Binder
Physical Review Letters 78 (11) 2136 (1997)
DOI: 10.1103/PhysRevLett.78.2136
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Topological effects in ring polymers: A computer simulation study

M. Müller, J. P. Wittmer and M. E. Cates
Physical Review E 53 (5) 5063 (1996)
DOI: 10.1103/PhysRevE.53.5063
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Fluctuation driven height reduction of crosslinked polymer brushes: A Monte Carlo study

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The Journal of Chemical Physics 139 (16) 164903 (2013)
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Understanding the Multiple Length Scales Describing the Structure of Bottle-brush Polymers by Monte Carlo Simulation Methods

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Macromolecular Theory and Simulations 20 (7) 510 (2011)
DOI: 10.1002/mats.201000092
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AB-Block Copolymer with Moving B Blocks as a Model for Interpolymer Complexes

Olga S. Pevnaya, Elena Yu. Kramarenko and Alexei R. Khokhlov
Macromolecular Theory and Simulations 19 (5) 240 (2010)
DOI: 10.1002/mats.200900078
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Correspondence relation with respect to entanglement among different simulation models: comparison between bead-spring and bond fluctuation model

M. Tanaka, N. Kuzuu, S. Imai and K. Iwata
Computational and Theoretical Polymer Science 10 (3-4) 309 (2000)
DOI: 10.1016/S1089-3156(99)00046-X
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Interfaces in partly compatible polymer mixtures: a Monte-Carlo simulation approach

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Physica A: Statistical Mechanics and its Applications 249 (1-4) 293 (1998)
DOI: 10.1016/S0378-4371(97)00477-9
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Segmental order in end-linked polymer networks: A Monte Carlo study

J. -U. Sommer and K. Saalwächter
The European Physical Journal E 18 (2) 167 (2005)
DOI: 10.1140/epje/i2005-10037-3
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Phase Separation Dynamics for a Polymer Blend Compatibilized by Protein-like Copolymers: A Monte Carlo Simulation

Ravish Malik, Carol K. Hall and Jan Genzer
Macromolecules 44 (20) 8284 (2011)
DOI: 10.1021/ma2014832
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Swelling of Olympic Gels

M. Lang, J. Fischer, M. Werner and J.-U. Sommer
Physical Review Letters 112 (23) (2014)
DOI: 10.1103/PhysRevLett.112.238001
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Free energy of entanglement–condensed systems

Kazuyoshi Iwata, Mitsuya Tanaka, Naoya Mita and Yoshiyuki Kohno
Polymer 43 (24) 6595 (2002)
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Grafted Polymer Chains Interacting with Substrates: Computer Simulations and Scaling

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Macromolecular Theory and Simulations 17 (9) 429 (2008)
DOI: 10.1002/mats.200800046
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Single chain dynamics in polymer networks: A Monte Carlo study

S. Nedelcu and J.-U. Sommer
The Journal of Chemical Physics 130 (20) 204902 (2009)
DOI: 10.1063/1.3143182
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Local and chain dynamics in miscible polymer blends: A Monte Carlo simulation study

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The Journal of Chemical Physics 124 (17) 174907 (2006)
DOI: 10.1063/1.2189244
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Elastic behavior of comb-like polymer chains

Jin Chen and Zhi-yong Huang
Chinese Journal of Polymer Science 28 (3) 311 (2010)
DOI: 10.1007/s10118-010-9006-0
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Density profile and polymer configurations for a polymer melt in a regular array of nanotubes

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New Journal of Physics 13 (7) 073030 (2011)
DOI: 10.1088/1367-2630/13/7/073030
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Single-polymer dynamics under constraints: scaling theory and computer experiment

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Journal of Physics: Condensed Matter 23 (10) 103101 (2011)
DOI: 10.1088/0953-8984/23/10/103101
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Monte Carlo simulations of the polymer glass transition: From the test of theories to material modeling

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Macromolecular Symposia 121 (1) 111 (1997)
DOI: 10.1002/masy.19971210111
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Irreversible adsorption of tethered chains at substrates: Monte Carlo study

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The Journal of Chemical Physics 124 (9) 094701 (2006)
DOI: 10.1063/1.2159479
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Consistent and transferable coarse-grained model for semidilute polymer solutions in good solvent

Giuseppe D’Adamo, Andrea Pelissetto and Carlo Pierleoni
The Journal of Chemical Physics 137 (2) 024901 (2012)
DOI: 10.1063/1.4732851
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Unexpectedly normal phase behavior of single homopolymer chains

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Physical Review E 75 (6) 060801 (2007)
DOI: 10.1103/PhysRevE.75.060801
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The observation of formation and annihilation of solitons and standing strain wave superstructures in a two-dimensional colloidal crystal

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The Journal of Chemical Physics 132 (7) 074701 (2010)
DOI: 10.1063/1.3299001
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The Effect of Chain Architecture on the Dynamics of Copolymers in a Homopolymer Matrix: Lattice Monte Carlo Simulations using the Bond-Fluctuation Model

Sudesh Y. Kamath and Mark D. Dadmun
Macromolecular Theory and Simulations 14 (8) 519 (2005)
DOI: 10.1002/mats.200500023
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Fractal properties and swelling behavior of polymer networks

J.‐U. Sommer, T. A. Vilgis and G. Heinrich
The Journal of Chemical Physics 100 (12) 9181 (1994)
DOI: 10.1063/1.466673
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The effect of copolymer composition on the dynamics of random copolymers in a homopolymer matrix

Sudesh Y. Kamath and Mark D. Dadmun
The Journal of Chemical Physics 125 (9) 094902 (2006)
DOI: 10.1063/1.2338309
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Dynamic Crossover Scaling in Polymer Solutions

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Physical Review Letters 109 (8) (2012)
DOI: 10.1103/PhysRevLett.109.088302
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A percolation dynamic approach to the sol-gel transition

Emanuela Del Gado, Lucilla de Arcangelis and Antonio Coniglio
Journal of Physics A: Mathematical and General 31 (8) 1901 (1998)
DOI: 10.1088/0305-4470/31/8/004
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Thin films of asymmetric triblock copolymers: A Monte Carlo study

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The Journal of Chemical Physics 118 (2) 905 (2003)
DOI: 10.1063/1.1526602
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Effect of Protein-like Copolymers Composition on the Phase Separation Dynamics of a Polymer Blend: A Monte Carlo Simulation

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Macromolecules 46 (10) 4207 (2013)
DOI: 10.1021/ma400187u
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Homo-polymers with balanced hydrophobicity translocate through lipid bilayers and enhance local solvent permeability

Marco Werner, Jens-Uwe Sommer and Vladimir A. Baulin
Soft Matter 8 (46) 11714 (2012)
DOI: 10.1039/c2sm26008e
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Evidence for reptational motion and the entanglement tube in semidilute polymer solutions

Paul T. Callaghan and Andrew Coy
Physical Review Letters 68 (21) 3176 (1992)
DOI: 10.1103/PhysRevLett.68.3176
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Monte Carlo simulations of copolymer adsorption at planar chemically patterned surfaces: Effect of surface domain sizes

James J. Semler and Jan Genzer
The Journal of Chemical Physics 119 (10) 5274 (2003)
DOI: 10.1063/1.1597872
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Scale-Free Static and Dynamical Correlations in Melts of Monodisperse and Flory-Distributed Homopolymers

J. P. Wittmer, A. Cavallo, H. Xu, et al.
Journal of Statistical Physics 145 (4) 1017 (2011)
DOI: 10.1007/s10955-011-0354-0
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Comment on “Large-Scale Molecular Dynamics Study of Entangled Hard-Chain Fluids”

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Physical Review Letters 76 (23) 4448 (1996)
DOI: 10.1103/PhysRevLett.76.4448
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Phase transitions in a single polymer chain: A micro-canonical analysis of Wang–Landau simulations

W. Paul, F. Rampf, T. Strauch and K. Binder
Computer Physics Communications 179 (1-3) 17 (2008)
DOI: 10.1016/j.cpc.2008.01.005
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Monte Carlo Simulation of Thin Film Polymer Melts

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Soft Materials 12 (sup1) S49 (2014)
DOI: 10.1080/1539445X.2014.957834
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Liquid‐state theory of the density dependent conformation of nonpolar linear polymers

Christopher J. Grayce, Arun Yethiraj and Kenneth S. Schweizer
The Journal of Chemical Physics 100 (9) 6857 (1994)
DOI: 10.1063/1.467045
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Competition between liquid-crystalline ordering and glassy freezing in melts of semiflexible polymers: A monte carlo simulation

W. Paul, H. Weber and K. Binder
Macromolecular Symposia 146 (1) 227 (1999)
DOI: 10.1002/masy.19991460131
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Effect of van der Waals surface interactions on wetting transitions in polymer blends

Gerald G. Pereira and Jian-Sheng Wang
Physical Review E 54 (3) 3040 (1996)
DOI: 10.1103/PhysRevE.54.3040
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Simulations of Interfacial Phenomena in Soft Condensed Matter and Nanoscience

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Journal of Physics: Conference Series 510 012002 (2014)
DOI: 10.1088/1742-6596/510/1/012002
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Markov chain modeling of polymer translocation through pores

Felipe Mondaini and L. Moriconi
The Journal of Chemical Physics 135 (11) 114902 (2011)
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A Monte Carlo study of wetting transitions in polymer blends confined to a capillary

Gerald G. Pereira and Jian‐Sheng Wang
The Journal of Chemical Physics 104 (13) 5294 (1996)
DOI: 10.1063/1.471258
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Concentration dependence of shear and extensional rheology of polymer solutions: Brownian dynamics simulations

Christopher Stoltz, Juan J. de Pablo and Michael D. Graham
Journal of Rheology 50 (2) 137 (2006)
DOI: 10.1122/1.2167468
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Effect of Topology on the Conformations of Ring Polymers

M. Lang, J. Fischer and J.-U. Sommer
Macromolecules 45 (18) 7642 (2012)
DOI: 10.1021/ma300942a
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Polymer confinement effects in aligned carbon nanotubes arrays

Pitamber Mahanandia, Jörg J. Schneider, Marina Khaneft, et al.
Physical Chemistry Chemical Physics 12 (17) 4407 (2010)
DOI: 10.1039/b922906j
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Anomalous diffusion in polymer melts

W. Paul
Chemical Physics 284 (1-2) 59 (2002)
DOI: 10.1016/S0301-0104(02)00536-0
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Diffusion-Driven Looping Provides a Consistent Framework for Chromatin Organization

Manfred Bohn, Dieter W. Heermann and Timothy Ravasi
PLoS ONE 5 (8) e12218 (2010)
DOI: 10.1371/journal.pone.0012218
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Conformational studies of bottle-brush polymers absorbed on a flat solid surface

Hsiao-Ping Hsu, Wolfgang Paul and Kurt Binder
The Journal of Chemical Physics 133 (13) 134902 (2010)
DOI: 10.1063/1.3495478
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The creation and spatial structure of end-linked bimodal polymer networks: a Monte Carlo study

Christine Hagn, Markus Wittkop, Stefan Kreitmeier, et al.
Polymer Gels and Networks 5 (4) 327 (1997)
DOI: 10.1016/S0966-7822(97)00002-6
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Simulation of Phase Transitions of Single Polymer Chains: Recent Advances

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Macromolecular Symposia 237 (1) 128 (2006)
DOI: 10.1002/masy.200650514
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Effect of chain stiffness and entanglements on the elastic behavior of end-linked elastomers

Dhananjay M. Bhawe, Claude Cohen and Fernando A. Escobedo
The Journal of Chemical Physics 123 (1) 014909 (2005)
DOI: 10.1063/1.1949210
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Diffusion of a polymer chain in porous media

V. Yamakov and A. Milchev
Physical Review E 55 (2) 1704 (1997)
DOI: 10.1103/PhysRevE.55.1704
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Developing a coarse-grained force field for the diblock copolymer poly(styrene-b-butadiene) from atomistic simulation

Xuejin Li, Dazhi Kou, Shuling Rao and Haojun Liang
The Journal of Chemical Physics 124 (20) 204909 (2006)
DOI: 10.1063/1.2200694
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Single polymer chains in poor solvent: Using the bond fluctuation method with explicit solvent

Christoph Jentzsch, Marco Werner and Jens-Uwe Sommer
The Journal of Chemical Physics 138 (9) 094902 (2013)
DOI: 10.1063/1.4792201
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Interfacial properties of glassy polymer melts: A Monte Carlo study

Jörg Baschnagel and Kurt Binder
Macromolecular Symposia 106 (1) 41 (1996)
DOI: 10.1002/masy.19961060107
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Relaxation properties of polymers and the physical network model

Vadim I Irzhak
Russian Chemical Reviews 69 (3) 261 (2000)
DOI: 10.1070/RC2000v069n03ABEH000554
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Monte Carlo simulation of the glass transition in polymer melts: extended mode-coupling analysis

J Baschnagel and M Fuchs
Journal of Physics: Condensed Matter 7 (34) 6761 (1995)
DOI: 10.1088/0953-8984/7/34/002
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Variational methods for constrained polymer dynamics

Martin Koch, Jens-Uwe Sommer and Alexander Blumen
Journal of Physics A: Mathematical and General 30 (14) 5007 (1997)
DOI: 10.1088/0305-4470/30/14/013
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The influence of the cooling rate on the glass transition and the glassy state in three-dimensional dense polymer melts: a Monte Carlo study

J Baschnagel, K Binder and H -P Wittmann
Journal of Physics: Condensed Matter 5 (11) 1597 (1993)
DOI: 10.1088/0953-8984/5/11/002
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Dynamics near the glass transition in two-dimensional polymer melts: a Monte Carlo simulation study

P Ray, J Baschnagel and K Binder
Journal of Physics: Condensed Matter 5 (32) 5731 (1993)
DOI: 10.1088/0953-8984/5/32/004
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Computer Simulations of Liquid Crystals and Polymers

Wolfgang Paul, Marcus Muller, Kurt Binder, Mikhail R. Stukan and Viktor A. Ivanov
NATO Science Series II: Mathematics, Physics and Chemistry, Computer Simulations of Liquid Crystals and Polymers 177 171 (2005)
DOI: 10.1007/1-4020-2760-5_8
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Festkörperprobleme 32

Kurt Kremer
Advances in Solid State Physics, Festkörperprobleme 32 32 1 (1992)
DOI: 10.1007/BFb0108618
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Viscoelasticity, Atomistic Models, Statistical Chemistry

Jörg Baschnagel, Kurt Binder, Pemra Doruker, et al.
Advances in Polymer Science, Viscoelasticity, Atomistic Models, Statistical Chemistry 152 41 (2000)
DOI: 10.1007/3-540-46778-5_2
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Universal Equation of State for Flexible Polymers Beyond the Semidilute Regime

Jarosław Paturej, Jens-Uwe Sommer and Torsten Kreer
Physical Review Letters 122 (8) (2019)
DOI: 10.1103/PhysRevLett.122.087801
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Handbook of Materials Modeling

Marcus Müller
Handbook of Materials Modeling 2599 (2005)
DOI: 10.1007/978-1-4020-3286-8_138
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Dendrimers in Solution of Linear Polymers: Crowding Effects

Martin Wengenmayr, Ron Dockhorn and Jens-Uwe Sommer
Macromolecules 52 (6) 2616 (2019)
DOI: 10.1021/acs.macromol.9b00010
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Universal dynamics of dilute and semidilute solutions of flexible linear polymers

J. Ravi Prakash
Current Opinion in Colloid & Interface Science 43 63 (2019)
DOI: 10.1016/j.cocis.2019.03.001
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Computer Simulation Studies in Condensed-Matter Physics XVI

W. Paul and S. Krushev
Springer Proceedings in Physics, Computer Simulation Studies in Condensed-Matter Physics XVI 95 152 (2004)
DOI: 10.1007/978-3-642-59293-5_22
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High Performance Computing in Science and Engineering ’98

A. Werner, F. Schmid, M. Müller and K. Binder
High Performance Computing in Science and Engineering ’98 176 (1999)
DOI: 10.1007/978-3-642-58600-2_19
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Computational Physics

Dieter W. Heermann
Computational Physics 258 (1996)
DOI: 10.1007/978-3-642-85238-1_15
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Unusual structural properties of polymers confined in a nanocylinder

Zhi-Bin Jiang, Meng-Jie Peng, Lin-Ling Li, et al.
Chinese Physics B 24 (7) 076801 (2015)
DOI: 10.1088/1674-1056/24/7/076801
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Monte Carlo studies on the deformation behaviour of glassy model systems

T Hölzl, C Mesner, M Wittkop, et al.
Computational and Theoretical Polymer Science 9 (2) 99 (1999)
DOI: 10.1016/S1089-3156(99)00019-7
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Concentration Profiles of End-Grafted, Diblock and Triblock Polymers in the Melt: Near-Wall Structure and Effects of Segment-Wall Interaction

Y Liu, S. A Schwarz, W Zhao, et al.
Europhysics Letters (EPL) 32 (3) 211 (1995)
DOI: 10.1209/0295-5075/32/3/004
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On two intrinsic length scales in polymer physics: Topological constraints vs. entanglement length

M Müller, J. P Wittmer and J.-L Barrat
Europhysics Letters (EPL) 52 (4) 406 (2000)
DOI: 10.1209/epl/i2000-00452-6
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On the first-order collapse transition of a three-dimensional, flexible homopolymer chain model

F Rampf, W Paul and K Binder
Europhysics Letters (EPL) 70 (5) 628 (2005)
DOI: 10.1209/epl/i2004-10520-y
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Polymer absorption in dense polymer brushes vs. polymer adsorption on the brush-solvent interface

Andrey Milchev and Kurt Binder
EPL (Europhysics Letters) 106 (5) 58001 (2014)
DOI: 10.1209/0295-5075/106/58001
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Determining the Mesh Size of Polymer Solutions via the Pore Size Distribution

Valerio Sorichetti, Virginie Hugouvieux and Walter Kob
Macromolecules 53 (7) 2568 (2020)
DOI: 10.1021/acs.macromol.9b02166
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Molecular Simulation of Tracer Diffusion and Self-Diffusion in Entangled Polymers

Sachin Shanbhag and Zuowei Wang
Macromolecules 53 (12) 4649 (2020)
DOI: 10.1021/acs.macromol.0c00680
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Monte Carlo simulation in polymer physics: Some recent developments

Kurt Binder
Makromolekulare Chemie. Macromolecular Symposia 50 (1) 1 (1991)
DOI: 10.1002/masy.19910500103
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Statics and dynamics of dense polymer systems studied by monte carlo simulation

Kurt Binder
Macromolecular Symposia 90 (1) 65 (1995)
DOI: 10.1002/masy.19950900107
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Lattice Polymers with Nearest-Neighbor Interactions:  A Comparison of Polymer RISM Theory Employing Atomic Closures and Monte Carlo Simulations

R. H. C. Janssen, S. Wang, E. Nies and P. Cifra
Macromolecules 32 (2) 471 (1999)
DOI: 10.1021/ma971611n
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