Wolfgang Paul - Publications

Affiliations: 
Johannes Gutenberg-Universität Mainz, Mainz, Rheinland-Pfalz, Germany 

178 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Shakirov T, Paul W. Aggregation and crystallization of small alkanes. The Journal of Chemical Physics. 158: 094905. PMID 36889964 DOI: 10.1063/5.0142692  0.354
2020 Moreno JC, Rubio Puzzo ML, Paul W. Collective dynamics of pedestrians in a corridor: An approach combining social force and Vicsek models. Physical Review. E. 102: 022307. PMID 32942496 DOI: 10.1103/Physreve.102.022307  0.369
2020 Lee E, Paul W. Additional Entanglement Effect Imposed by Small Sized Ring Aggregates in Supramolecular Polymer Melts: Molecular Dynamics Simulation Study Macromolecules. 53: 1674-1684. DOI: 10.1021/Acs.Macromol.9B02209  0.495
2019 Lee E, Paul W. Morphology and thermodynamics of polymers with monofunctional hydrogen bonding ends in dilute and semidilute concentration. Physical Review. E. 100: 012502. PMID 31499799 DOI: 10.1103/Physreve.100.012502  0.516
2019 Maltseva D, Zablotskiy S, Martemyanova J, Ivanov V, Shakirov T, Paul W. Diagrams of States of Single Flexible-Semiflexible Multi-Block Copolymer Chains: A Flat-Histogram Monte Carlo Study. Polymers. 11. PMID 31052227 DOI: 10.3390/polym11050757  0.355
2019 Shakirov T, Paul W. Folded alkane chains and the emergence of the lamellar crystal. The Journal of Chemical Physics. 150: 084903. PMID 30823774 DOI: 10.1063/1.5087640  0.467
2018 Pylaeva S, Böker A, Elgabarty H, Paul W, Sebastiani D. The conformational ensemble of polyglutamine-14 chains: specific influence of solubility tail and chromophores. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30106503 DOI: 10.1002/cphc.201800551  0.313
2018 Shakirov T, Paul W. Crystallization in melts of short, semiflexible hard polymer chains: An interplay of entropies and dimensions. Physical Review. E. 97: 042501. PMID 29758595 DOI: 10.1103/Physreve.97.042501  0.545
2018 Lee E, Paul W. Thermodynamics of single polyethylene and polybutylene glycols with hydrogen-bonding ends: A transition from looped to open conformations. The Journal of Chemical Physics. 148: 084905. PMID 29495787 DOI: 10.1063/1.5017698  0.53
2017 Werlich B, Taylor MP, Shakirov T, Paul W. On the Pseudo Phase Diagram of Single Semi-Flexible Polymer Chains: A Flat-Histogram Monte Carlo Study. Polymers. 9. PMID 30970714 DOI: 10.3390/Polym9020038  0.57
2017 Solar M, Binder K, Paul W. Relaxation processes and glass transition of confined polymer melts: A molecular dynamics simulation of 1,4-polybutadiene between graphite walls. The Journal of Chemical Physics. 146: 203308. PMID 28571361 DOI: 10.1063/1.4975390  0.611
2017 Solar M, Paul W. Chain relaxation in thin polymer films: turning a dielectric type-B polymer into a type-A' one. Soft Matter. PMID 28134371 DOI: 10.1039/C6Sm02557A  0.499
2017 Shakirov T, Zablotskiy S, Böker A, Ivanov V, Paul W. Comparison of Boltzmann and Gibbs entropies for the analysis of single-chain phase transitions The European Physical Journal Special Topics. 226: 705-723. DOI: 10.1140/EPJST/E2016-60326-1  0.301
2017 Kurz R, Achilles A, Chen W, Schäfer M, Seidlitz A, Golitsyn Y, Kressler J, Paul W, Hempel G, Miyoshi T, Thurn-Albrecht T, Saalwächter K. Intracrystalline Jump Motion in Poly(ethylene oxide) Lamellae of Variable Thickness: A Comparison of NMR Methods Macromolecules. 50: 3890-3902. DOI: 10.1021/Acs.Macromol.7B00843  0.467
2016 Taylor MP, Paul W, Binder K. On the polymer physics origins of protein folding thermodynamics. The Journal of Chemical Physics. 145: 174903. PMID 27825238 DOI: 10.1063/1.4966645  0.522
2016 Zablotskiy SV, Martemyanova JA, Ivanov VA, Paul W. Diagram of states and morphologies of flexible-semiflexible copolymer chains: A Monte Carlo simulation. The Journal of Chemical Physics. 144: 244903. PMID 27369540 DOI: 10.1063/1.4946035  0.376
2016 Böker A, Paul W. Wang-Landau simulation of Gō model molecules. The European Physical Journal. E, Soft Matter. 39: 5. PMID 26810395 DOI: 10.1140/Epje/I2016-16005-X  0.447
2016 Binder K, Hsu HP, Paul W. Understanding the stiffness of macromolecules: From linear chains to bottle-brushes European Physical Journal: Special Topics. 225: 1663-1671. DOI: 10.1140/Epjst/E2016-60017-5  0.641
2016 Zablotskiy SV, Martemyanova JA, Ivanov VA, Paul W. Stochastic approximation Monte Carlo algorithm for calculation of diagram of states of a single flexible-semiflexible copolymer chain Polymer Science Series A. 58: 899-915. DOI: 10.1134/S0965545X1606016X  0.308
2015 Janke W, Paul W. Thermodynamics and structure of macromolecules from flat-histogram Monte Carlo simulations. Soft Matter. PMID 26574738 DOI: 10.1039/C5Sm01919B  0.557
2015 Kuhnhold A, Paul W. Active one-particle microrheology of an unentangled polymer melt studied by molecular dynamics simulation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 91: 042601. PMID 25974519 DOI: 10.1103/PhysRevE.91.042601  0.319
2015 Solar M, Paul W. Dielectric α-relaxation of 1,4-polybutadiene confined between graphite walls : Molecular dynamics investigations through numerical simulations of polymer molecules relaxation. The European Physical Journal. E, Soft Matter. 38: 123. PMID 25967943 DOI: 10.1140/Epje/I2015-15037-0  0.416
2015 Werlich B, Shakirov T, Taylor MP, Paul W. Stochastic approximation Monte Carlo and Wang-Landau Monte Carlo applied to a continuum polymer model Computer Physics Communications. 186: 65-70. DOI: 10.1016/J.Cpc.2014.09.018  0.509
2014 Kuhnhold A, Paul W. Temperature dependent micro-rheology of a glass-forming polymer melt studied by molecular dynamics simulation. The Journal of Chemical Physics. 141: 124907. PMID 25273474 DOI: 10.1063/1.4896151  0.543
2014 Kuhnhold A, Paul W. Passive one-particle microrheology of an unentangled polymer melt studied by molecular dynamics simulation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 90: 022602. PMID 25215751 DOI: 10.1103/Physreve.90.022602  0.45
2014 Martemyanova JA, Ivanov VA, Paul W. Intramolecular structures in a single copolymer chain consisting of flexible and semiflexible blocks: Monte Carlo simulation of a lattice model Journal of Physics: Conference Series. 510. DOI: 10.1088/1742-6596/510/1/012023  0.423
2014 Solar M, Yelash L, Virnau P, Binder K, Paul W. Polymer dynamics in a polymer-solid interphase: Molecular dynamics simulations of 1,4-polybutadiene at a graphite surface Soft Materials. 12: S80-S89. DOI: 10.1080/1539445X.2014.937495  0.658
2014 Ivanov VA, Rodionova AS, Martemyanova JA, Stukan MR, Müller M, Paul W, Binder K. Conformational properties of semiflexible chains at nematic ordering transitions in thin films: A monte carlo simulation Macromolecules. 47: 1206-1220. DOI: 10.1021/Ma402138C  0.434
2014 Hsu HP, Paul W, Binder K. Pulling single adsorbed bottle-brush polymers off a flat surface: A monte carlo simulation Macromolecules. 47: 427-437. DOI: 10.1021/Ma401996N  0.625
2014 Werlich B, Taylor MP, Paul W. 27th annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 wang-landau and stochastic approximation monte carlo for semi-flexible polymer chains Physics Procedia. 57: 82-86. DOI: 10.1016/J.Phpro.2014.08.137  0.552
2013 Taylor MP, Aung PP, Paul W. Partition function zeros and phase transitions for a square-well polymer chain. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 88: 012604. PMID 23944483 DOI: 10.1103/Physreve.88.012604  0.494
2013 Ivanov VA, Rodionova AS, Martemyanova JA, Stukan MR, Müller M, Paul W, Binder K. Wall-induced orientational order in athermal semidilute solutions of semiflexible polymers: Monte Carlo simulations of a lattice model. The Journal of Chemical Physics. 138: 234903. PMID 23802981 DOI: 10.1063/1.4810745  0.564
2013 Solar M, Mapesa EU, Kremer F, Binder K, Paul W. The dielectric α -relaxation in polymer films: A comparison between experiments and atomistic simulations Epl (Europhysics Letters). 104: 66004. DOI: 10.1209/0295-5075/104/66004  0.536
2013 Taylor MP, Paul W, Binder K. Applications of the Wang-Landau algorithm to phase transitions of a single polymer chain Polymer Science - Series C. 55: 23-38. DOI: 10.1134/S1811238213060040  0.617
2013 Hsu HP, Paul W, Binder K. Estimation of persistence lengths of semiflexible polymers: Insight from simulations Polymer Science - Series C. 55: 39-59. DOI: 10.1134/S1811238213060027  0.6
2013 Gross C, Paul W. Modeling diblock copolymer melts with a soft quadrumer model: Bulk behavior and directed self-assembly Polymer Science - Series C. 55: 94-102. DOI: 10.1134/S1811238213050019  0.43
2012 Hsu HP, Paul W, Binder K. Scattering function of semiflexible polymer chains under good solvent conditions. The Journal of Chemical Physics. 137: 174902. PMID 23145745 DOI: 10.1063/1.4764300  0.559
2012 Yelash L, Virnau P, Binder K, Paul W. Three-step decay of time correlations at polymer-solid interfaces Epl. 98. DOI: 10.1209/0295-5075/98/28006  0.594
2011 Ivanov VA, Rodionova AS, An EA, Martemyanova JA, Stukan MR, Müller M, Paul W, Binder K. Orientational ordering transitions of semiflexible polymers in thin films: a Monte Carlo simulation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 84: 041810. PMID 22181168 DOI: 10.1103/PHYSREVE.84.041810  0.305
2011 Theodorakis PE, Hsu HP, Paul W, Binder K. Computer simulation of bottle-brush polymers with flexible backbone: good solvent versus theta solvent conditions. The Journal of Chemical Physics. 135: 164903. PMID 22047265 DOI: 10.1063/1.3656072  0.6
2011 Hsu HP, Paul W, Binder K. Structure of bottle brush polymers on surfaces: weak versus strong adsorption. The Journal of Physical Chemistry. B. 115: 14116-26. PMID 21751800 DOI: 10.1021/Jp204006Z  0.592
2011 Theodorakis PE, Paul W, Binder K. Analysis of the cluster formation in two-component cylindrical bottle-brush polymers under poor solvent conditions: a simulation study. The European Physical Journal. E, Soft Matter. 34: 1-12. PMID 21607832 DOI: 10.1140/Epje/I2011-11052-5  0.576
2011 Erukhimovich I, Theodorakis PE, Paul W, Binder K. Mesophase formation in two-component cylindrical bottlebrush polymers. The Journal of Chemical Physics. 134: 054906. PMID 21303159 DOI: 10.1063/1.3537978  0.648
2011 Hsu H, Paul W, Binder K. Breakdown of the Kratky-Porod wormlike chain model for semiflexible polymers in two dimensions Epl (Europhysics Letters). 95: 68004. DOI: 10.1209/0295-5075/95/68004  0.627
2011 Hsu H, Paul W. A fast Monte Carlo algorithm for studying bottle-brush polymers Computer Physics Communications. 182: 2115-2121. DOI: 10.1016/J.Cpc.2011.05.005  0.497
2011 Hsu H, Paul W, Binder K. Understanding the Multiple Length Scales Describing the Structure of Bottle-brush Polymers by Monte Carlo Simulation Methods Macromolecular Theory and Simulations. 20: 510-525. DOI: 10.1002/Mats.201000092  0.663
2010 Yelash L, Virnau P, Binder K, Paul W. Slow process in confined polymer melts: layer exchange dynamics at a polymer solid interface. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 82: 050801. PMID 21230426 DOI: 10.1103/PhysRevE.82.050801  0.538
2010 Hsu HP, Paul W, Binder K. Conformational studies of bottle-brush polymers absorbed on a flat solid surface. The Journal of Chemical Physics. 133: 134902. PMID 20942557 DOI: 10.1063/1.3495478  0.577
2010 Theodorakis PE, Paul W, Binder K. Pearl-necklace structures of molecular brushes with rigid backbone under poor solvent conditions: A simulation study. The Journal of Chemical Physics. 133: 104901. PMID 20849186 DOI: 10.1063/1.3477981  0.604
2010 Vallée RA, Paul W, Binder K. Probe molecules in polymer melts near the glass transition: A molecular dynamics study of chain length effects. The Journal of Chemical Physics. 132: 034901. PMID 20095750 DOI: 10.1063/1.3284780  0.649
2010 Hsu H, Paul W, Binder K. Polymer chain stiffness vs. excluded volume: A Monte Carlo study of the crossover towards the worm-like chain model Epl (Europhysics Letters). 92: 28003. DOI: 10.1209/0295-5075/92/28003  0.627
2010 Gross C, Paul W. A soft-quadrumer model for diblock copolymers Soft Matter. 6: 3273. DOI: 10.1039/C002917C  0.357
2010 Hsu H, Paul W, Binder K. Standard Definitions of Persistence Length Do Not Describe the Local “Intrinsic” Stiffness of Real Polymer Chains Macromolecules. 43: 3094-3102. DOI: 10.1021/Ma902715E  0.647
2010 Hsu H, Paul W, Rathgeber S, Binder K. Characteristic Length Scales and Radial Monomer Density Profiles of Molecular Bottle-Brushes: Simulation and Experiment Macromolecules. 43: 1592-1601. DOI: 10.1021/Ma902101N  0.623
2010 Vallée RAL, Paul W, Binder K. Single Molecules Probing the Freezing of Polymer Melts: A Molecular Dynamics Study for Various Molecule-Chain Linkages Macromolecules. 43: 10714-10721. DOI: 10.1021/Ma101975J  0.569
2010 Theodorakis PE, Paul W, Binder K. Interplay between Chain Collapse and Microphase Separation in Bottle-Brush Polymers with Two Types of Side Chains Macromolecules. 43: 5137-5148. DOI: 10.1021/Ma100414U  0.627
2010 Taylor MP, Paul W, Binder K. Two-state protein-like folding of a homopolymer chain Physics Procedia. 4: 151-160. DOI: 10.1016/J.Phpro.2010.08.019  0.467
2010 Binder K, Mognetti B, Paul W, Virnau P, Yelash L. Computer Simulations and Coarse-Grained Molecular Models Predicting the Equation of State of Polymer Solutions Advances in Polymer Science. 238: 329-387. DOI: 10.1007/12_2010_82  0.627
2009 Hsu HP, Binder K, Paul W. How to define variation of physical properties normal to an undulating one-dimensional object. Physical Review Letters. 103: 198301. PMID 20365959 DOI: 10.1103/Physrevlett.103.198301  0.5
2009 Taylor MP, Paul W, Binder K. Phase transitions of a single polymer chain: A Wang-Landau simulation study. The Journal of Chemical Physics. 131: 114907. PMID 19778149 DOI: 10.1063/1.3227751  0.643
2009 Taylor MP, Paul W, Binder K. All-or-none proteinlike folding transition of a flexible homopolymer chain. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 050801. PMID 19518407 DOI: 10.1103/Physreve.79.050801  0.609
2009 Strauch T, Yelash L, Paul W. A coarse-graining procedure for polymer melts applied to 1,4-polybutadiene. Physical Chemistry Chemical Physics : Pccp. 11: 1942-8. PMID 19280005 DOI: 10.1039/B818271J  0.41
2009 Mognetti BM, Virnau P, Yelash L, Paul W, Binder K, Müller M, MacDowell LG. Coarse-graining dipolar interactions in simple fluids and polymer solutions: Monte Carlo studies of the phase behavior. Physical Chemistry Chemical Physics : Pccp. 11: 1923-33. PMID 19280003 DOI: 10.1039/B818020M  0.477
2009 Mognetti BM, Virnau P, Yelash L, Paul W, Binder K, Müller M, MacDowell LG. Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment. The Journal of Chemical Physics. 130: 044101. PMID 19191371 DOI: 10.1063/1.3050353  0.515
2009 Theodorakis PE, Paul W, Binder K. Microphase separation in bottlebrush polymers under poor-solvent conditions Epl (Europhysics Letters). 88: 63002. DOI: 10.1209/0295-5075/88/63002  0.614
2009 Preis T, Virnau P, Paul W, Schneider JJ. GPU accelerated Monte Carlo simulation of the 2D and 3D Ising model Journal of Computational Physics. 228: 4468-4477. DOI: 10.1016/J.Jcp.2009.03.018  0.363
2009 Binder K, Mognetti BM, Macdowell LG, Oettel M, Paul W, Virnau P, Yelash L. Towards the Quantitative Prediction of the Phase Behavior of Polymer Solutions by Computer Simulation Macromolecular Symposia. 278: 1-9. DOI: 10.1002/Masy.200950401  0.633
2008 Hsu HP, Paul W, Binder K. Structure of bottle-brush polymers in solution: a Monte Carlo test of models for the scattering function. The Journal of Chemical Physics. 129: 204904. PMID 19045878 DOI: 10.1063/1.3025893  0.61
2008 Yelash L, Virnau P, Paul W, Binder K, Müller M. Spinodal decomposition of polymer solutions: a parallelized molecular dynamics simulation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 78: 031801. PMID 18851056 DOI: 10.1103/Physreve.78.031801  0.608
2008 Mognetti BM, Oettel M, Yelash L, Virnau P, Paul W, Binder K. Spherically averaged versus angle-dependent interactions in quadrupolar fluids. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 041506. PMID 18517627 DOI: 10.1103/Physreve.77.041506  0.489
2008 Mognetti BM, Yelash L, Virnau P, Paul W, Binder K, Müller M, MacDowell LG. Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: the case of carbon dioxide. The Journal of Chemical Physics. 128: 104501. PMID 18345900 DOI: 10.1063/1.2837291  0.474
2008 Luettmer-Strathmann J, Rampf F, Paul W, Binder K. Transitions of tethered polymer chains: a simulation study with the bond fluctuation lattice model. The Journal of Chemical Physics. 128: 064903. PMID 18282070 DOI: 10.1063/1.2837459  0.643
2008 Binder K, Paul W, Strauch T, Rampf F, Ivanov V, Luettmer-Strathmann J. Phase transitions of single polymer chains and of polymer solutions: Insights from Monte Carlo simulations Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/49/494215  0.665
2008 Binder K, Paul W. Recent Developments in Monte Carlo Simulations of Lattice Models for Polymer Systems Macromolecules. 41: 4537-4550. DOI: 10.1021/Ma702843Z  0.646
2008 Paul W, Rampf F, Strauch T, Binder K. Phase transitions in a single polymer chain: A micro-canonical analysis of Wang–Landau simulations Computer Physics Communications. 179: 17-20. DOI: 10.1016/J.Cpc.2008.01.005  0.656
2007 Vallée RA, Paul W, Binder K. Single molecule probing of the glass transition phenomenon: simulations of several types of probes. The Journal of Chemical Physics. 127: 154903. PMID 17949210 DOI: 10.1063/1.2794334  0.584
2007 Ivanov VA, An EA, Spirin LA, Stukan MR, Müller M, Paul W, Binder K. Equation of state for macromolecules of variable flexibility in good solvents: a comparison of techniques for Monte Carlo simulations of lattice models. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 76: 026702. PMID 17930169 DOI: 10.1103/Physreve.76.026702  0.536
2007 Paul W, Strauch T, Rampf F, Binder K. Unexpectedly normal phase behavior of single homopolymer chains. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 75: 060801. PMID 17677212 DOI: 10.1103/Physreve.75.060801  0.59
2007 Martemyanova JA, Stukan MR, Ivanov VA, Müller M, Paul W, Binder K. Dense orientationally ordered states of a single semiflexible macromolecule: an expanded ensemble Monte Carlo simulation. The Journal of Chemical Physics. 122: 174907. PMID 15910069 DOI: 10.1063/1.1888525  0.59
2007 Vallée RAL, Auweraer MVd, Paul W, Binder K. What can be learned from the rotational motion of single molecules in a polymer melt near the glass transition? Europhysics Letters (Epl). 79: 46001. DOI: 10.1209/0295-5075/79/46001  0.586
2007 Hsu H, Paul W, Binder K. One- and Two-Component Bottle-Brush Polymers: Simulations Compared to Theoretical Predictions Macromolecular Theory and Simulations. 16: 660-689. DOI: 10.1002/Mats.200700031  0.645
2007 Hsu H, Paul W, Binder K. Simulation of Copolymer Bottle-Brushes Macromolecular Symposia. 252: 58-67. DOI: 10.1002/Masy.200750606  0.658
2007 Paul W, Rampf F, Strauch T, Binder K. New Results on the Collapse Transition(s) of Flexible Homopolymers Macromolecular Symposia. 252: 1-11. DOI: 10.1002/Masy.200750601  0.575
2006 Yelash L, Müller M, Paul W, Binder K. How Well Can Coarse-Grained Models of Real Polymers Describe Their Structure? The Case of Polybutadiene. Journal of Chemical Theory and Computation. 2: 588-97. PMID 26626666 DOI: 10.1021/Ct0502099  0.51
2006 Vallée RA, Van der Auweraer M, Paul W, Binder K. Fluorescence lifetime of a single molecule as an observable of meta-basin dynamics in fluids near the glass transition. Physical Review Letters. 97: 217801. PMID 17155773 DOI: 10.1103/Physrevlett.97.217801  0.542
2006 Hsu H, Paul W, Binder K. Intramolecular phase separation of copolymer “bottle brushes”: No sharp phase transition but a tunable length scale Europhysics Letters (Epl). 76: 526-532. DOI: 10.1209/Epl/I2006-10276-4  0.585
2006 Paul W, Bedrov D, Smith GD. Glass transition in 1,4-polybutadiene: Mode-coupling theory analysis of molecular dynamics simulations using a chemically realistic model Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 74. DOI: 10.1103/Physreve.74.021501  0.462
2006 Ochoa JGD, Binder K, Paul W. Molecular dynamics simulations of the embedding of a nano-particle into a polymer film Journal of Physics: Condensed Matter. 18: 2777-2787. DOI: 10.1088/0953-8984/18/10/003  0.57
2006 Rampf F, Binder K, Paul W. The phase diagram of a single polymer chain: New insights from a new simulation method Journal of Polymer Science Part B: Polymer Physics. 44: 2542-2555. DOI: 10.1002/Polb.20908  0.653
2006 Binder K, Baschnagel J, Müller M, Paul W, Rampf F. Simulation of Phase Transitions of Single Polymer Chains: Recent Advances Macromolecular Symposia. 237: 128-138. DOI: 10.1002/Masy.200650514  0.769
2005 Heinz H, Paul W, Binder K. Calculation of local pressure tensors in systems with many-body interactions. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 72: 066704. PMID 16486095 DOI: 10.1103/Physreve.72.066704  0.437
2005 Yelash L, Müller M, Paul W, Binder K. Artificial multiple criticality and phase equilibria: an investigation of the PC-SAFT approach. Physical Chemistry Chemical Physics : Pccp. 7: 3728-32. PMID 16358021 DOI: 10.1039/B509101M  0.545
2005 Yelash L, Müller M, Paul W, Binder K. A global investigation of phase equilibria using the perturbed-chain statistical-associating-fluid-theory approach. The Journal of Chemical Physics. 123: 014908. PMID 16035870 DOI: 10.1063/1.1948374  0.563
2005 Rampf F, Paul W, Binder K. On the first-order collapse transition of a three-dimensional, flexible homopolymer chain model Europhysics Letters (Epl). 70: 628-634. DOI: 10.1209/Epl/I2004-10520-Y  0.629
2004 Smith GD, Bedrov D, Paul W. A molecular dynamics simulation study of the alpha-relaxation in a 1,4-polybutadiene melt as probed by the coherent dynamic structure factor. The Journal of Chemical Physics. 121: 4961-7. PMID 15332932 DOI: 10.1063/1.1781114  0.333
2004 Bedrov D, Smith GD, Paul W. Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: a molecular dynamics simulation study. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 70: 011804. PMID 15324081 DOI: 10.1103/Physreve.70.011804  0.373
2004 Binder K, Horbach J, Kob W, Paul W, Varnik F. Molecular dynamics simulations Journal of Physics: Condensed Matter. 16: S429-S453. DOI: 10.1088/0953-8984/16/5/006  0.557
2004 Paul W, Smith GD. Structure and dynamics of amorphous polymers: computer simulations compared to experiment and theory Reports On Progress in Physics. 67: 1117-1185. DOI: 10.1088/0034-4885/67/7/R03  0.577
2004 Paul W. Molecular dynamics simulations of the glass transition in polymer melts Polymer. 45: 3901-3905. DOI: 10.1016/J.Polymer.2004.01.079  0.555
2003 Krushev S, Paul W. Intramolecular caging in polybutadiene due to rotational barriers. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 021806. PMID 12636707 DOI: 10.1103/Physreve.67.021806  0.477
2003 Stukan MR, Ivanov VA, Müller M, Paul W, Binder K. On the kinetics of nematic ordering in solutions of semiflexible macromolecules: a Monte Carlo simulation E-Polymers. 3. DOI: 10.1515/Epoly.2003.3.1.794  0.596
2003 Ivanov VA, Stukan MR, Müller M, Paul W, Binder K. Phase diagram of solutions of stiff-chain macromolecules: A Monte Carlo simulation The Journal of Chemical Physics. 118: 10333-10342. DOI: 10.1063/1.1572812  0.607
2003 Stukan MR, Ivanov VA, Grosberg AY, Paul W, Binder K. Chain length dependence of the state diagram of a single stiff-chain macromolecule: Theory and Monte Carlo simulation Journal of Chemical Physics. 118: 3392-3400. DOI: 10.1063/1.1536620  0.609
2003 Binder K, Baschnagel J, Paul W. Glass transition of polymer melts: test of theoretical concepts by computer simulation Progress in Polymer Science. 28: 115-172. DOI: 10.1016/S0079-6700(02)00030-8  0.772
2002 Glotzer SC, Paul W. Molecular and mesoscale simulation methods for polymer materials Annual Review of Materials Science. 32: 401-436. DOI: 10.1146/Annurev.Matsci.32.010802.112213  0.423
2002 Smith GD, Borodin O, Paul W. A molecular-dynamics simulation study of dielectric relaxation in a 1,4-polybutadiene melt The Journal of Chemical Physics. 117: 10350-10359. DOI: 10.1063/1.1518684  0.402
2002 Stukan MR, Ivanov VA, Müller M, Paul W, Binder K. Finite size effects in pressure measurements for Monte Carlo simulations of lattice polymer models The Journal of Chemical Physics. 117: 9934-9941. DOI: 10.1063/1.1518006  0.573
2002 Buchholz J, Paul W, Varnik F, Binder K. Cooling rate dependence of the glass transition temperature of polymer melts: Molecular dynamics study The Journal of Chemical Physics. 117: 7364-7372. DOI: 10.1063/1.1508366  0.597
2002 Krushev S, Paul W, Smith GD. The Role of Internal Rotational Barriers in Polymer Melt Chain Dynamics Macromolecules. 35: 4198-4203. DOI: 10.1021/Ma0115794  0.514
2002 Paul W. Anomalous diffusion in polymer melts Chemical Physics. 284: 59-66. DOI: 10.1016/S0301-0104(02)00536-0  0.308
2001 Paul W, Müller M. Enhanced sampling in simulations of dense systems: The phase behavior of collapsed polymer globules The Journal of Chemical Physics. 115: 630-635. DOI: 10.1063/1.1379763  0.511
2001 Smith GD, Paul W, Monkenbusch M, Richter D. On the non-Gaussianity of chain motion in unentangled polymer melts The Journal of Chemical Physics. 114: 4285-4288. DOI: 10.1063/1.1348032  0.539
2001 Smith GD, Borodin O, Bedrov D, Paul W, Qiu X, Ediger MD. 13C NMR spin-lattice relaxation and conformational dynamics in a 1,4-polybutadiene melt Macromolecules. 34: 5192-5199. DOI: 10.1021/Ma002206Q  0.396
2000 Baschnagel J, Bennemann C, Paul W, Binder K. Dynamics of a supercooled polymer melt above the mode-coupling critical temperature: cage versus polymer-specific effects Journal of Physics: Condensed Matter. 12: 6365-6374. DOI: 10.1088/0953-8984/12/29/308  0.743
2000 Albano EV, Binder K, Paul W. Monte Carlo studies ofd= 2 Ising strips with long-range boundary fields Journal of Physics: Condensed Matter. 12: 2701-2723. DOI: 10.1088/0953-8984/12/12/311  0.457
2000 Smith G, Paul W, Monkenbusch M, Richter D. A comparison of neutron scattering studies and computer simulations of polymer melts Chemical Physics. 261: 61-74. DOI: 10.1016/S0301-0104(00)00228-7  0.543
2000 Baschnagel J, Binder K, Doruker P, Gusev AA, Hahn O, Kremer K, Mattice WL, Müller-Plathe F, Murat M, Paul W, Santos S, Suter UW, Tries V. Bridging the gap between atomistic and coarse-grained models of polymers: Status and perspectives Advances in Polymer Science. 152: 41-156. DOI: 10.1007/3-540-46778-5_2  0.747
2000 Ivanov VA, Stukan MR, Vasilevskaya VV, Paul W, Binder K. Structures of stiff macromolecules of finite chain length near the coil-globule transition: A Monte Carlo simulation Macromolecular Theory and Simulations. 9: 488-499. DOI: 10.1002/1521-3919(20001101)9:8<488::Aid-Mats488>3.0.Co;2-F  0.557
1999 Paul W, Frisch HL. Kramers potential study of the Rouse-like dynamics of short alkane chains. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 60: 697-704. PMID 11969810  0.465
1999 Weber H, Paul W, Binder K. Monte Carlo simulation of a lyotropic first-order isotropic-nematic phase transition in a lattice polymer model Physical Review E. 59: 2168-2174. DOI: 10.1103/Physreve.59.2168  0.634
1999 Binder K, Baschnagel J, Kob W, Paul W. Glass physics: still not transparent Physics World. 12: 54-54. DOI: 10.1088/2058-7058/12/12/16  0.631
1999 Binder K, Baschnagel J, Bennemann C, Paul W. Monte Carlo and molecular dynamics simulation of the glass transition of polymers Journal of Physics: Condensed Matter. 11: A47-A55. DOI: 10.1088/0953-8984/11/10A/003  0.776
1999 Bennemann C, Paul W, Baschnagel J, Binder K. Investigating the influence of different thermodynamic paths on the structural relaxation in a glass-forming polymer melt Journal of Physics: Condensed Matter. 11: 2179-2192. DOI: 10.1088/0953-8984/11/10/005  0.736
1999 Smith GD, Paul W, Monkenbusch M, Willner L, Richter D, Qiu XH, Ediger MD. Molecular dynamics of a 1,4-polybutadiene melt. Comparison of experiment and simulation Macromolecules. 32: 8857-8865. DOI: 10.1021/Ma991130Z  0.433
1999 Bennemann C, Baschnagel J, Paul W, Binder K. Molecular-dynamics simulation of a glassy polymer melt: Rouse model and cage effect Computational and Theoretical Polymer Science. 9: 217-226. DOI: 10.1016/S1089-3156(99)00008-2  0.739
1999 Bennemann C, Baschnagel J, Paul W. Molecular-dynamics simulation of a glassy polymer melt: Incoherent scattering function The European Physical Journal B. 10: 323-334. DOI: 10.1007/S100510050861  0.659
1999 Binder K, Bennemann C, Baschnagel J, Paul W. Anomalous diffusion of polymers in supercooled melts near the glass transition Lecture Notes in Physics. 519: 124-139. DOI: 10.1007/Bfb0106837  0.659
1999 Paul W, Weber H, Binder K. Competition between liquid-crystalline ordering and glassy freezing in melts of semiflexible polymers: A monte carlo simulation Macromolecular Symposia. 146: 227-233. DOI: 10.1002/Masy.19991460131  0.662
1998 Paul W, Smith GD, Yoon DY, Farago B, Rathgeber S, Zirkel A, Willner L, Richter D. Chain Motion in an Unentangled Polyethylene Melt: A Critical Test of the Rouse Model by Molecular Dynamics Simulations and Neutron Spin Echo Spectroscopy Physical Review Letters. 80: 2346-2349. DOI: 10.1103/Physrevlett.80.2346  0.489
1998 Bennemann C, Paul W, Binder K, Dünweg B. Molecular-dynamics simulations of the thermal glass transition in polymer melts: α-relaxation behavior Physical Review E. 57: 843-851. DOI: 10.1103/Physreve.57.843  0.65
1998 Martoňák R, Paul W, Binder K. Orthorhombic phase of crystalline polyethylene: A constant pressure path-integral Monte Carlo study Physical Review E. 57: 2425-2437. DOI: 10.1103/Physreve.57.2425  0.607
1998 Binder K, Baschnagel J, Böhmer S, Paul W. Simulation of the glass transition in polymeric systems: Evidence for an underlying phase transition? Philosophical Magazine B. 77: 591-608. DOI: 10.1080/13642819808204987  0.744
1998 Ivanov VA, Paul W, Binder K. Finite chain length effects on the coil–globule transition of stiff-chain macromolecules: A Monte Carlo simulation The Journal of Chemical Physics. 109: 5659-5669. DOI: 10.1063/1.477184  0.646
1998 Baschnagel J, Paul W, Tries V, Binder K. Statics and Dynamics of Bidisperse Polymer Melts:  A Monte Carlo Study of the Bond-Fluctuation Model Macromolecules. 31: 3856-3867. DOI: 10.1021/Ma9718863  0.737
1998 Smith GD, Paul W. United Atom Force Field for Molecular Dynamics Simulations of 1,4-Polybutadiene Based on Quantum Chemistry Calculations on Model Molecules The Journal of Physical Chemistry A. 102: 1200-1208. DOI: 10.1021/Jp9730858  0.332
1998 Paul W, Weber H, Binder K. Gas transport through polymer membranes and free volume percolation Annalen Der Physik. 7: 554-563. DOI: 10.1002/(Sici)1521-3889(199811)7:5/6<554::Aid-Andp554>3.0.Co;2-Y  0.509
1997 Baschnagel J, Wolfgardt M, Paul W, Binder K. Entropy Theory and Glass Transition: A Test by Monte Carlo Simulation. Journal of Research of the National Institute of Standards and Technology. 102: 159-170. PMID 27805134 DOI: 10.6028/Jres.102.012  0.743
1997 Weber H, Paul W, Kob W, Binder K. Small-Angle Excess Scattering: Glassy Freezing or Local Orientational Ordering? Physical Review Letters. 78: 2136-2139. DOI: 10.1103/Physrevlett.78.2136  0.565
1997 Albano EV, Binder K, Paul W. Capillary condensation in the two-dimensional lattice gas: A Monte Carlo test of fluctuation corrections to the Kelvin equation Journal of Physics a: Mathematical and General. 30: 3285-3297. DOI: 10.1088/0305-4470/30/10/009  0.528
1997 Kopf A, Dünweg B, Paul W. Dynamics of polymer “isotope” mixtures: Molecular dynamics simulation and Rouse model analysis The Journal of Chemical Physics. 107: 6945-6955. DOI: 10.1063/1.474934  0.532
1997 Smith GD, Paul W, Yoon DY, Zirkel A, Hendricks J, Richter D, Schober H. Local dynamics in a long-chain alkane melt from molecular dynamics simulations and neutron scattering experiments The Journal of Chemical Physics. 107: 4751-4755. DOI: 10.1063/1.474837  0.384
1997 Martoňák R, Paul W, Binder K. Orthorhombic phase of crystalline polyethylene: A Monte Carlo study The Journal of Chemical Physics. 106: 8918-8930. DOI: 10.1063/1.473955  0.581
1997 Tries V, Paul W, Baschnagel J, Binder K. Modeling polyethylene with the bond fluctuation model The Journal of Chemical Physics. 106: 738-748. DOI: 10.1063/1.473162  0.74
1997 Martoňák R, Paul W, Binder K. Journal of Computer-Aided Materials Design. 4: 9-18. DOI: 10.1023/A:1008605617551  0.542
1997 Paul W, Smith GD, Yoon DY. Static and Dynamic Properties of an-C100H202Melt from Molecular Dynamics Simulations Macromolecules. 30: 7772-7780. DOI: 10.1021/Ma971184D  0.491
1997 Kopf A, Paul W, Dünweg B. Multiple time step integrators and momentum conservation Computer Physics Communications. 101: 1-8. DOI: 10.1016/S0010-4655(96)00165-8  0.361
1997 Paul W, Binder K, Wolfgardt M, Baschnagel J, Tries V. Monte Carlo simulations of the polymer glass transition: From the test of theories to material modeling Macromolecular Symposia. 121: 111-121. DOI: 10.1002/Masy.19971210111  0.766
1997 Binder K, Paul W. Monte Carlo simulations of polymer dynamics: Recent advances Journal of Polymer Science Part B: Polymer Physics. 35: 1-31. DOI: 10.1002/(Sici)1099-0488(19970115)35:1<1::Aid-Polb1>3.0.Co;2-#  0.639
1996 Weber H, Paul W. Penetrant diffusion in frozen polymer matrices: A finite-size scaling study of free volume percolation. Physical Review E. 54: 3999-4007. PMID 9965547 DOI: 10.1103/Physreve.54.3999  0.472
1996 Wolfgardt M, Baschnagel J, Paul W, Binder K. Entropy of glassy polymer melts: Comparison between Gibbs-DiMarzio theory and simulation. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 54: 1535-1543. PMID 9965225 DOI: 10.1103/Physreve.54.1535  0.733
1996 Martoňák R, Paul W, Binder K. Monte Carlo simulation of crystalline polyethylene Computer Physics Communications. 99: 2-8. DOI: 10.1016/S0010-4655(96)00114-2  0.559
1995 Paul W, Yoon DY, Smith GD. An optimized united atom model for simulations of polymethylene melts The Journal of Chemical Physics. 103: 1702-1709. DOI: 10.1063/1.469740  0.419
1995 Binder K, Baschnagel J, Paul W, Wittmann H, Wolfgardt M. What can we learn from the Monte Carlo simulation of the glass transition of polymer melts? Computational Materials Science. 4: 309-316. DOI: 10.1016/0927-0256(95)00029-2  0.758
1994 Müller M, Paul W. The Annihilating Random Walk as a Model for Domain Growth in One Dimension Europhysics Letters (Epl). 25: 79-85. DOI: 10.1209/0295-5075/25/2/001  0.392
1994 Müller M, Paul W. Measuring the chemical potential of polymer solutions and melts in computer simulations The Journal of Chemical Physics. 100: 719-724. DOI: 10.1063/1.466937  0.545
1994 Wittmer J, Paul W, Binder K. The intermediate coherent scattering function of entangled polymer melts: a Monte Carlo test of des Cloizeaux' theory Journal De Physique Ii. 4: 873-879. DOI: 10.1051/Jp2:1994171  0.752
1994 Paul W, Pistoor N. A Mapping of Realistic onto Abstract Polymer Models and an Application to Two Bisphenol Polycarbonates Macromolecules. 27: 1249-1255. DOI: 10.1021/Ma00083A027  0.484
1994 Paul W. Computer modelling of the polymer glass transition Journal of Non-Crystalline Solids. 682-688. DOI: 10.1016/0022-3093(94)90564-9  0.55
1994 Milchev A, Paul W, Binder K. Polymer chains confined into tubes with attractive walls: A Monte Carlo simulation Macromolecular Theory and Simulations. 3: 305-323. DOI: 10.1002/Mats.1994.040030203  0.629
1993 Milchev A, Paul W, Binder K. Off‐lattice Monte Carlo simulation of dilute and concentrated polymer solutions under theta conditions The Journal of Chemical Physics. 99: 4786-4798. DOI: 10.1063/1.466027  0.678
1993 Gerroff I, Milchev A, Binder K, Paul W. A new off‐lattice Monte Carlo model for polymers: A comparison of static and dynamic properties with the bond‐fluctuation model and application to random media The Journal of Chemical Physics. 98: 6526-6539. DOI: 10.1063/1.464793  0.63
1993 M�ller M, Paul W. Ordering kinetics in quasi-one-dimensional Ising-like systems Journal of Statistical Physics. 73: 209-233. DOI: 10.1007/Bf01052758  0.399
1993 Paul W, Binder K, Batoulis J, Pittel B, Sommer KH. Monte Carlo modelling of the polymer glass transition Makromolekulare Chemie. Macromolecular Symposia. 65: 3-10. DOI: 10.1002/Masy.19930650103  0.629
1992 Wittmer J, Paul W, Binder K. Rouse and reptation dynamics at finite temperatures: a Monte Carlo simulation Macromolecules. 25: 7211-7219. DOI: 10.1021/Ma00052A023  0.781
1992 Baschnagel J, Qin K, Paul W, Binder K. Monte Carlo simulation of models for single polyethylene coils Macromolecules. 25: 3117-3124. DOI: 10.1021/Ma00038A015  0.721
1992 Albano EV, Binder K, Heermann DW, Paul W. Kinetics of domain growth in finite Ising strips Physica a: Statistical Mechanics and Its Applications. 183: 130-147. DOI: 10.1016/0378-4371(92)90181-O  0.509
1991 Dünweg B, Paul W. Brownian Dynamics Simulations Without Gaussian Random Numbers International Journal of Modern Physics C. 2: 817-827. DOI: 10.1142/S0129183191001037  0.383
1991 Baschnagel J, Binder K, Paul W, Laso M, Suter UW, Batoulis I, Jilge W, Bürger T. On the construction of coarse-grained models for linear flexible polymer chains: Distribution functions for groups of consecutive monomers Journal of Chemical Physics. 95: 6014-6025. DOI: 10.1063/1.461826  0.704
1991 Paul W, Binder K, Heermann DW, Kremer K. Dynamics of polymer solutions and melts. Reptation predictions and scaling of relaxation times The Journal of Chemical Physics. 95: 7726-7740. DOI: 10.1063/1.461346  0.741
1991 Paul W, Binder K, Heermann DW, Kremer K. Crossover scaling in semidilute polymer solutions: a Monte Carlo test Journal De Physique Ii. 1: 37-60. DOI: 10.1051/Jp2:1991138  0.665
1991 Paul W, Binder K, Kremer K, Heermann DW. Structure-property correlation of polymers, a Monte Carlo approach Macromolecules. 24: 6332-6334. DOI: 10.1021/Ma00023A041  0.71
1991 Paul W, Binder K, Heermann DW, Kremer K. Self-diffusion in polymer solutions using the bond-fluctuation MC-algorithm Journal of Non-Crystalline Solids. 131: 650-653. DOI: 10.1016/0022-3093(91)90663-Q  0.581
1990 Albano EV, Binder K, Heermann DW, Paul W. Critical wetting in the square Ising model with a boundary field Journal of Statistical Physics. 61: 161-178. DOI: 10.1007/Bf01013958  0.518
1989 Paul W, Heermann DW, Binder K. Relaxation of metastable states in finite mean-field kinetic Ising systems Journal of Physics a: General Physics. 22: 3325-3337. DOI: 10.1088/0305-4470/22/16/022  0.471
1989 Albano EV, Binder K, Heermann DW, Paul W. Shift of first‐order phase transitions in thin films due to boundary fields: A computer simulation The Journal of Chemical Physics. 91: 3700-3706. DOI: 10.1063/1.456851  0.499
1989 Albano EV, Binder K, Heermann DW, Paul W. Adsorption on stepped surfaces: A Monte Carlo simulation Surface Science. 223: 151-178. DOI: 10.1016/0039-6028(89)90731-0  0.495
1989 Albano EV, Binder K, Heermann DW, Paul W. The Ising square lattice in a L×M geometry: A model for the effect of surface steps on phase transitions in adsorbed monolayers Zeitschrift FüR Physik B Condensed Matter. 77: 445-460. DOI: 10.1007/Bf01453796  0.498
1988 Paul W, Heermann DW. Metastable states studied by relaxation paths Epl. 6: 701-705. DOI: 10.1209/0295-5075/6/8/006  0.348
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