Martin-Luther-Universität Halle-Wittenberg

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Bücher und Buchbeiträge
  • W. Paul, J. Baschnagel, Monte Carlo simulations of the glass transition in polymers, in Monte Carlo and Molecular Dynamics Simulations in Polymer Science, K. Binder ed., Oxford University Press, Oxford (1995), Ch.6
  • W. Paul, J. Baschnagel, Stochastic Processes: From Physics to Finance, Springer, Heidelberg, 2000.
  • W. Paul, M. D. Ediger, G. D. Smith, Do Y. Yoon, Polymer Melt Dynamics, in Simulation Methods for Polymers, M. Kotelyanski und D. N. Theodoru eds. ( Marcel Dekker, New York, 2004), pp.407-424
  • K. Binder, W. Paul, S. Santos, U. W. Suter, Coarse-Graining Techniques, in Simulation Methods for Polymers, M. Kotelyanski und D. N. Theodoru, eds. ( Marcel Dekker, New York, 2004), pp.491-510
Übersichtsartikel
  • K. Binder, W. Paul, Monte Carlo Simulations of Polymer Dynamics: Recent Advances, J. Polym. Sci. Polym. Phys. 35, 1-31 (1997)
  • J. Baschnagel, K. Binder, P. Doruker. A. A. Gusev, O. Hahn, K. Kremer, W. L. Mattice, F. Müller-Plathe, M. Murat, W. Paul, S. Santos, U. W. Suter, V. Tries, Bridging the gap between atomistic and coarse-grained models of polymers: Status and perspectives, Advances in Polymer Science Vol. 152, Springer, Heidelberg (2000), pp.41-156.
  • S. C. Glotzer, W. Paul, Molecular and Mesoscale Simulation Methods for Polymer Materials, Annu. Rev. Mater. Res. 32, 401.437 (2002).
  • K. Binder, J. Baschnagel, W. Paul, Glass Transition of Polymer Melts: Tests of Theoretical Concepts by Computer Simulation, Progress in Polymer Science 28, 115-172 (2003).
  • W. Paul, G. D. Smith, Structure and dynamics of amorphous polymers: computer simulations compared to experiment and theory, Rep. Prog. Phys. 67, 1117-1185 (2004).

Artikel in Fachzeitschriften

2010

  • Hsu et al. Conformational studies of bottle-brush polymers absorbed on a flat solid surface. J Chem Phys (2010) vol. 133 (13) pp. 134902
  • Gross and Paul. A soft-quadrumer model for diblock copolymers. Soft Matter (2010) vol. 6 (14) pp. 3273-3281
    Theodorakis et al. Interplay between Chain Collapse and Microphase Separation in Bottle-Brush Polymers with Two Types of Side Chains. Macromolecules (2010) vol. 43 (11) pp. 5137-5148
  • Vallee et al. Probe molecules in polymer melts near the glass transition: A molecular dynamics study of chain length effects. J Chem Phys (2010) vol. 132 (3) pp. 034901
  • Hsu et al. Standard Definitions of Persistence Length Do Not Describe the Local "Intrinsic" Stiffness of Real Polymer Chains. Macromolecules (2010) vol. 43 (6) pp. 3094-3102
  • Yelash et al. Slow process in confined polymer melts: Layer exchange dynamics at a polymer solid interface. Phys Rev E (2010) vol. 82 (5) pp. 050801
  • Theodorakis et al. Pearl-necklace structures of molecular brushes with rigid backbone under poor solvent conditions: A simulation study. J Chem Phys (2010) vol. 133 (10) pp. 104901
  • Hsu et al. Characteristic Length Scales and Radial Monomer Density Profiles of Molecular Bottle-Brushes: Simulation and Experiment. Macromolecules (2010) vol. 43 (3) pp. 1592-1601

2009

  • Hsu et al. How to Define Variation of Physical Properties Normal to an Undulating One-Dimensional Object. Phys Rev Lett (2009) vol. 103 (19) pp. 198301
  • Mognetti et al. Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment. J Chem Phys (2009) vol. 130 (4) pp. 044101
  • Mognetti et al. Coarse-graining dipolar interactions in simple fluids and polymer solutions: Monte Carlo studies of the phase behavior. Phys Chem Chem Phys (2009) vol. 11 (12) pp. 1923-1933
  • Preis et al. Accelerated fluctuation analysis by graphic cards and complex pattern formation in financial markets. New J Phys (2009) vol. 11 pp. 093024
  • Taylor et al. Phase transitions of a single polymer chain: A Wang-Landau simulation study. J Chem Phys (2009) vol. 131 (11) pp. 114907
  • Ivanov et al. Conformational Changes of a Single Semiflexible Macromolecule Near an Adsorbing Surface: A Monte Carlo Simulation. J Phys Chem B (2009) vol. 113 (12) pp. 3653-3668
  • Theodorakis et al. Microphase separation in bottlebrush polymers under poor-solvent conditions. Epl-Europhys Lett (2009) vol. 88 (6) pp. 63002
  • Preis et al. GPU accelerated Monte Carlo simulation of the 2D and 3D Ising model. J Comput Phys (2009) vol. 228 (12) pp. 4468-4477
  • Strauch et al. A coarse-graining procedure for polymer melts applied to 1,4-polybutadiene. Phys Chem Chem Phys (2009) vol. 11 (12) pp. 1942-1948

2008

  • Luettmer-Strathmann et al. Transitions of tethered polymer chains: A simulation study with the bond fluctuation lattice model. J Chem Phys (2008) vol. 128 (6) pp. 064903
  • Mognetti et al. Spherically averaged versus angle-dependent interactions in quadrupolar fluids. Phys Rev E (2008) vol. 77 (4) pp. 041506
  • Mognetti et al. Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide. J Chem Phys (2008) vol. 128 (10) pp. 104501
  • Binder et al. Phase transitions of single polymer chains and of polymer solutions: insights from Monte Carlo simulations. J Phys-Condens Mat (2008) vol. 20 (49) pp. 494215
  • Binder and Paul. Recent developments in Monte Carlo Simulations of lattice models for polymer systems. Macromolecules (2008) vol. 41 (13) pp. 4537-4550
  • Paul et al. Phase transitions in a single polymer chain: A micro-canonical analysis of Wang-Landau simulations. Comput Phys Commun (2008) vol. 179 (1-3) pp. 17-20
  • Preis et al. Fluctuation patterns in high-frequency financial asset returns. Epl-Europhys Lett (2008) vol. 82 (6) pp. 68005
  • Yelash et al. Spinodal decomposition of polymer solutions: A parallelized molecular dynamics simulation. Phys Rev E (2008) vol. 78 (3) pp. 031801
  • Hsu et al. Structure of bottle-brush polymers in solution: A Monte Carlo test of models for the scattering function. J Chem Phys (2008) vol. 129 (20) pp. 204904

2007

  • Preis et al. Statistical analysis of financial returns for a multiagent order book model of asset trading. Phys Rev E (2007) vol. 76 (1) pp. 016108
  • Hsu et al. One- and two-component bottle-brush polymers: Simulations compared to theoretical predictions. Macromol Theor Simul (2007) vol. 16 (7) pp. 660-689
  • Vallee et al. Single molecule probing of the glass transition phenomenon: Simulations of several types of probes. J Chem Phys (2007) vol. 127 (15) pp. 154903
  • Ivanov et al. Equation of state for macromolecules of variable flexibility in good solvents: A comparison of techniques for Monte Carlo simulations of lattice models. Phys Rev E (2007) vol. 76 (2) pp. 026702
  • Paul et al. Unexpectedly normal phase behavior of single homopolymer chains. Phys Rev E (2007) vol. 75 (6) pp. 060801
  • Vallee et al. What can be learned from the rotational motion of single molecules in a polymer melt near the glass transition?. Epl-Europhys Lett (2007) vol. 79 (4) pp. 46001

2006

  • W Paul, D Bedrov, G. D Smith, Glass transition in 1,4-polybutadiene: Mode-coupling theory analysis of molecular dynamics simulations using a chemically realistic model. Phys Rev E (2006) vol. 74 (2) pp. 021501
  • L. Yelash, M. Mueller, W. Paul, K. Binder, How well can coarse-grained models of real polymers describe their structure? The case of polybutadiene. J Chem Theory Comput (2006) vol. 2 (3) pp. 588-597
  • Ochoa et al. Molecular dynamics simulations of the embedding of a nano-particle into a polymer film. J Phys-Condens Mat (2006) vol. 18 (10) pp. 2777-2787
  • Vallee et al. Fluorescence lifetime of a single molecule as an observable of meta-basin dynamics in fluids near the glass transition. Phys Rev Lett (2006) vol. 97 (21) pp. 214801
  • Preis et al. Multi-agent-based Order Book Model of financial markets. Europhys Lett (2006) vol. 75 (3) pp. 510-516
  • Hsu et al. Intramolecular phase separation of copolymer "bottle brushes": No sharp phase transition but a tunable length scale. Europhys Lett (2006) vol. 76 (3) pp. 526-532
  • Binder et al. Simulation of phase transitions of single polymer chains: Recent advances. Macromol Symp (2006) vol. 237 pp. 128-138
  • Rampf et al. The phase diagram of a single polymer chain: New insights from a new simulation method. J Polym Sci Pol Phys (2006) vol. 44 (18) pp. 2542-2555

2005

  • J. A. Martemyanova, M. R. Stukan, V. A. Ivanov, M. Müller, W. Paul, K. Binder, Dense orientationally ordered states of a single semiflexible macromolecule: An expanded ensemble Monte Carlo simulation, J. Chem. Phys. 122, 174901 (2005).
  • F. Rampf, W. Paul, K. Binder, On the first-order collapse transition of a three-dimensional, flexible homopolymer chain model, Europhys. Lett. 70, 628 (2005).
  • L. Yelash, M. Müller, W. Paul, K. Binder, A global investigation of phase equilibria using the Perturbed-Chain Statistical-Associating-Fluid-Theory (PC-SAFT) approach, J. Chem. Phys. 123, 014908 (2005).
  • L. Yelash, M. Müller, W. Paul, K. Binder, Artificial multiple criticality and phase equilibria: an investigation of the PC-SAFT approach, Phys. Chem. Chem. Phys. 7, 3728-3732 (2005)
  • H. Heinz, W. Paul, K. Binder, Calculation of local pressure tensors in systems with many-body interactions, Phys. Rev. E 72, 066704 (2005)

2004

  • K. Binder, J. Horbach, W. Kob, W. Paul, F. Varmik, Molecular Dynamics Simulations, J. Phys. Condens. Matter 16, S429 (2004).
  • M. R. Stukan, V. A. Ivanov, M. Müller, W. Paul, K. Binder, Phase diagram of solutions of stiff-chain macromolecules: A Monte Carlo simulation, J. Chem. Phys. 118, 10333 (2003).
  • M. R. Stukan, V. A. Ivanov, M. Müller, W. Paul, K. Binder, Phase diagram of a solution of stiff-chain macromolecules: Computer simulation by means of the Monte Carlo method, Russ. J. Phys. Chem. 78, 1950 (2004).
  • W. Paul, S. Krushev, Computer simulation of polymers: physics and methods from specific to universal, in Computer Simulation Studies in Condensed Matter Physics XIV, Eds. D.P. Landau, S.P. Lewis and H.-B. Schüttler (Springer Verlag, Heidelberg, Berlin, 2004)
  • W. Paul, Computer simulations of the glass transition in polymer melts, in Advances in Solid State Physics (Springer Verlag, Berlin, 2003), p.633-644
  • W. Paul, Molecular dynamics simulations of the glass transition in polymer melts, Polymer 45, 3901 (2004)
  • W. Paul, S. Krushev, G. D. Smith, O. Borodin, D. Bedrov, Some things we can learn from chemically realistic polymer melt simulations,in Computational Methods for Polymers and Liquid Crystalline Polymers NATO Science Series II, Eds. P. Pasini, C. Zannoni and S. Zumer (Kluwer, Dordrecht, 2004) pp. 149-170
  • W. Paul, M. Müller, K. Binder, M. R. Stukan, V. A. Ivanov, Monte Carlo simulations of semi-flexible polymers,in Computational Methods for Polymers and Liquid Crystalline Polymers NATO Science Series II, Eds. P. Pasini, C. Zannoni and S. Zumer (Kluwer, Dordrecht, 2004) pp.171-190
  • M. R. Stukan, V. A. Ivanov, M. Müller, W. Paul and K. Binder, On the kinetics of nematic ordering in solutions of semi-flexible macromolecules: A Monte Carlo simulation, e-Polymers, 062 (2003).
  • Hendrik Heinz, Wolfgang Paul, Ulrich W. Suter, and Kurt Binder, Analysis of the phase transitions in alkyl-mica by density and pressure profiles, J. Chem. Phys. 120, 3847 (2004).
  • D. Bedrov, G. D. Smith, W. Paul, On the anomalous pressure dependence of the structure factor of 1,4-polybutadiene melts. A molecular dynamics simulation study, Phys. Rev. E. 70, 011804 (2004).
  • G. D. Smith, D. Bedrov, W. Paul, A Molecular Dynamics simulation study of the -relaxation in a 1,4-polybutadiene melt as probed by the coherent dynamic structure factor, J. Chem. Phys. 121, 4961 (2004).

2003

  • M. R. Stukan, V. A. Ivanov, A. Yu. Grosberg, W. Paul, K. Binder, Chain Length Dependence of the State Diagram of a Single Stiff-Chain Macromolecule: Theory and Monte Carlo Simulation, J. Chem. Phys. 118, 3392 (2003).
  • Ju. A. Uldina, M. R. Stukan, V. A. Ivanov, M. Muller, W. Paul, K. Binder, The coil-globule and intraglobular liquid-solid transitions for stiff-chain macromolecules: a Monte Carlo simulation, NATO ASI "Forces, Growth and Form in Soft Condensed Matter: At the Interface between Physics and Biology" (Geilo, Norway, 24 March -3 April 2003)
  • S. Krushev, W. Paul, Intramolecular Caging in Polybutadiene due to Rotational Barriers, Phys Rev E 67, 021806 (2003)
  • K. Binder, J. Baschngel, W. Kob, W. Paul, Simulation of Models for the Glass Transition: Is There Progress?, in Bridging Time Scales: Molecular Simulations for the Next Decade, Eds. P. Nielaba, M. Mareshal and G. Giccotti, Lecture Notes in Physics 605 (Springer, Berlin, 2002)

2002

  • W. Paul, S. Krushev, G. D. Smith, The Role of Internal Rotational Barriers in Polymer Melt Chain Dynamics, Macromolecules 35, 4198 (2002).
  • K. Binder, J. Baschnagel, M. Müller, W. Paul, Phase Transitions in Macromolecular Systems: Monte Carlo and Molecular Dynamics Simulations of Coarse Grained Models, NIC Symposium 2001, H. Rollnik und D. Wolf eds., NIC Series Vol. 9, Jülich, 2002.
  • W. Paul, Anomalous Diffusion in Polymer Melts, Chem. Phys. (Special Issue on Strange Kinetics) 284, 59 (2002).
  • W. Paul, M. Müller, Enhanced sampling in simulations of dense systems, Comp. Phys. Commun. 146, 113 (2002).
  • C. Hammel, W. Paul, Monte Carlo Simulations of a Trader-based Market Model, Physica A 313, 640 (2002).
  • J. Buchholz, W. Paul, F. Varnik, K. Binder, Cooling Rate Dependence of the Glass Transition Temperature of Polymer Melts: A Molecular Dynamics Study ,J. Chem. Phys. 117, 7364 (2002).
  • G. D. Smith, O. Borodin, W. Paul, A Molecular Dynamics Simulation Study of Dielectric Relaxation in a 1,4-Polybutadiene Melt and Its Relation to Heterogeneous Torsional Dynamics, J. Chem. Phys. 117, 10350 (2002).
  • M. R. Stukan, V. A. Ivanov, M. Müller, W. Paul, K. Binder, Finite size effects in pressure measurements for Monte Carlo simulations of lattice polymer models, J. Chem. Phys. 117, 9934 (2002)

2001

  • G. D. Smith, W. Paul, M. Monkenbusch, D. Richer, On the Non-Gaussianity of Chain Motion in Unentangled Polymer Melts, J. Chem. Phys. 114, 4285 (2001).
  • W. Paul, A Mapping from Atomistic Polymer Models to Coarse-Grained Models, Proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Biology, A. Brandt, J. Bernholc and K. Binder eds., IOS Press, Amsterdam, 2001.
  • G. D. Smith, O. Borodin, D. Bedrov, W. Paul, X. Qiu, M. D. Ediger, C NMR Spin-Lattice Relaxation and Conformational Dynamics in a 1,4-Polybutadiene Melt, Macromolecules 34, 5192 (2001).
  • W. Paul, M. Müller, Enhanced Sampling in Simulations of Dense Systems: The Phase Behavior of Collapsed Polymer Globules, J. Chem. Phys. 115, 630 (2001).

2000

  • V.A. Ivanov, M.R. Stukan, V.V. Vasilevskaya, W. Paul, K. Binder, Structures of Stiff Macromolecules of Finite Chain Length Near the Coil-Glouble Transition: A Monte Carlo Simulation, Macromol. Theory Simul. 9, 499 (2000).
  • W. Paul, H. Weber, K. Binder, Competition between Liquid-Crystalline Ordering and Glassy Freezing in Melts of Semiflexible Polymers: A Monte Carlo Simulation, Macromolecular Symposia 146, 227 (1999).
  • G. D. Smith, W. Paul, M. Monkenbusch, L. Willner, D. Richter, X.H. Qiu, M. D. Ediger, Molecular Dynamics of a 1,4-Polybutadiene Melt. Comparison of Experiment and Simulation, Macromolecules 32, 8857 (1999).
  • J. Baschnagel, C. Bennemann, W. Paul, K. Binder, Dynamics of a Supercooled Polymer Melt above the Mode-Coupling Critical Temperature: Cage versus Polymer-specific Effects, J. Phys.: Condens. Matter 12, 6365 (2000)
  • K. Binder, J. Baschnagel, W. Kob, W. Paul, Glass Physics - Still Not Transparent, Physics World (Special Issue) 12, 54 (1999).
  • E. V. Albano, K. Binder, W. Paul, Monte Carlo Studies of d=2 Ising Strips with Long-Range Boundary Fields, J. Phys: Cond. Matt. 12, 2701 (2000).
  • G. D. Smith, W. Paul, D. Richter, A Comparison of Neutron Scattering Studies and Computer Simulations of Polymer Melts, contribution to the special issue of Chemical Physics on Condensed phase structure and dynamics: a combined neutron scattering and numerical modelling approach, Chem. Phys. 261, 61 (2000).

1999

  • H. Weber, W. Paul, K. Binder, Monte Carlo simulation of a lyotropic first-order isotropic-nematic phase transition in a lattice polymer model, Phys. Rev. E 59, 2168 (1999).
    W. Paul, H.L. Frisch, Kramers potential study of the Rouse-like dynamics of short alkane chains, Phys. Rev. E 60, 697 (1999).
  • C. Bennemann, J. Baschnagel, W. Paul, Molecular Dynamics Simulation of a Glassy Polymer Melt: Incoherent Scattering Function, Eur. Phys. J B 10, 323 (1999).
  • C. Bennemann, W. Paul, J. Baschnagel, K. Binder, Investigating the influence of different thermodynamic paths on the structural relaxation in a glass forming polymer melt, J. Phys.: Condens. Matter 11, 2179 (1999).
  • W. Paul, H. Weber, K. Binder, Gas transport through polymer membranes and free volume percolation, Ann. Phys. (Leipzig) 7, 554 (1998)
  • C. Bennemann, J. Baschnagel, W. Paul, K. Binder, Molecular Dynamics Simulation of a Glassy Polymer Melt: Rouse Model and Cage Effect, Comp. Theo. Poly. Sci. 9, 217 (1999).
  • K. Binder, C. Bennemann, J. Bashnagel, W. Paul, Simulation Studies of the Glass Transition in Polymers: Recent Progress, in Slow Dynamics in Complex Systems: 8th Tohwa University International Symposium, M. Tokuyama und I. Oppenheim Eds., AIP Conference Proceedings 469, 1999.
  • W. Paul, Molecular Dynamics simulation of polymer melt dynamics: quantitative comparison to experiment, in Slow Dynamics in Complex Systems: Eigth Tohwa University International Symposium, M. Tokuyama und I. Oppenheim Eds., AIP Conference Proceedings 469, 1999.
  • K. Binder, J. Baschnagel, C. Bennemann, W. Paul, Monte Carlo and Molecular Dynamics Simulation of the Glass Transition of Polymers, J. Phys.: Condens Matter 11, A47 (1999).
  • K. Binder, C. Bennemann, J. Baschnagel, W. Paul, Anomalous Diffusion of Polymers in Supercooled Melts near the Glass Transition, in Anomalous diffusion from basis to application, XI Max Born Symposium, R. Kutner, A. Pekalski, K. Sznajd-Weron, Eds., Lecture Notes in Physics, (Springer, Berlin, 1999).

1998

  • K. Binder, J. Baschnagel, S. Boehmer, W. Paul, Simulation of the glass transition in polymeric systems: Evidence for an underlying phase transition?, Phil. Mag. B 77, 591 (1998).
  • K. Binder, J. Baschnagel, S. Boehmer, W. Paul, M. Wolfgardt, Monte Carlo Simulation of the Glass Transition of Polymer Melts: A Tool for Testing Theoretical Concepts, in Proc. V International Workshop on Noncrystalline Solids, Santiago de Compostela, 1997, R. Revas und M. A. López-Quintala, Eds., (World Scientific, Singapore, 1998) (Singapore)
  • A. Kopf, B. Dünweg, W. Paul, Dynamics of Polymer "Isotope" Mixtures: Molecular Dynamics Simulation and Rouse Model Analysis, J. Chem. Phys. 107, 6945 (1997).
  • R. Martonák, W. Paul, K. Binder, Orthorombic phase of crystalline polyethylene: a constant pressure path-integral Monte Carlo study, Phys. Rev. E , 57, 2425 (1998).
  • Ch. Bennemann, W. Paul, K. Binder, B. Dünweg, Molecular-Dynamics simulations of the thermal glass transition in polymer melts:  -relaxation behavior, Phys. Rev. E 57, 843 (1998).
  • W. Paul, G. D. Smith, D. Y. Yoon, B. Farago, S. Rathgeber, A. Zirkel, L. Willner, D. Richter, Chain Motion in an Unentangled Polymer Melt: A Critical Test of the Rouse Model by Molecular Dynamics Simulations and Neutron Spin Echo Spectroscopy, Phys. Rev. Lett. 80, 2346 (1998).
  • G. D. Smith, W. Paul, A United Atom Force Field for Molecular Dynamics Simulations of 1,4-Polybutadiene Based Upon Quantum Chemistry Calculations on Model Molecules, J. Phys. Chem. A 102, 1200 (1998)
  • K. Binder, W. Kob, M. Müller, P. Nielaba, W. Paul, F. Schmid, Was kann die Computersimulation für die Materialforschung leisten?, Forschungsmagazin der Johannes-Gutenberg Universität, Sonderausgabe: Die Forschungszentren 1997.
  • J. Baschnagel, W. Paul, V. Tries, K. Binder, Statics and Dynamics of Bidisperse Polymer Melts: A Monte Carlo Study of the Bond-Fluctuation Model, Macromolecules 31, 3856 (1998)
  • W. Paul, Atomistic Molecular Dynamics Simulation of the Static and Dynamic Properties of a Polyethylene Melt, in Computer Simulation Studies in Condensed Matter Physics XI, Eds. D.P. Landau und H.B. Schüttler (Springer Verlag, Heidelberg, Berlin, 1998).
  • V. Ivanov, W. Paul, K. Binder, Finite Chain Length Effects on the Coil-Globule Transition of Stiff-Chain Macromolecules: a Monte Carlo Simulation, J. Chem. Phys. 109, 5659 (1998).

1997

  • V. Tries, W. Paul, J. Baschnagel, K. Binder, Modeling Polyethylene with the Bondfluctuation Model, J. Chem. Phys. 106, 738 (1997)
  • H. Weber, W. Paul, Penetrant diffusion in rigid polymer matrices - a finite-size scaling study of free volume percolation, Phys. Rev. E. 54, 3999 (1996)
  • J. Baschnagel, M. Wolfgardt, W. Paul, K. Binder, Entropy Theory and Glass Transition: A Test by Monte Carlo Simulation, J. Res. NIST, 102, 159 (1997)
  • K. Binder, J. Baschnagel, W. Kob, K. Okun, W. Paul, K. Vollmayr, M. Wolfgardt, Computer Simulation of Models for the Structural Glass Transition, in Complex Behavios of Glassy Systems, Proc. XIV Sitges Conference, 1996 (M. Rubi und C. Perez-Vicente, eds.), Springer (Berlin) 1997.
  • A. Kopf, W. Paul, B. Dünweg, Multiple Time Step Integrators and Momentum Conservation, Comp. Phys. Comm. 101, 1 (1997)
  • R. Martonák, W. Paul, K. Binder, Monte Carlo Simulation of Crystalline Polyethylene, Comp. Phys. Commun. 99, 2 (1996)
  • R. Martonák, W. Paul, K. Binder, Constant Volume and Constant Pressure Monte Carlo Simulation of Crystalline Polyethylene, J. Comp.-Aid. Mat. Des. 4, 9 (1997).
  • R. Martonák, W. Paul, K. Binder, Orthorombic Phase of Crystalline Polyethylene, J. Chem. Phys. 106, 8918 (1997).
  • W. Paul, G. D. Smith, D. Y. Yoon, Static and Dynamic Properties of a n-  Melt from Molecular Dynamics Simulations, Macromolecules 30, 7772 (1997).
  • G. D. Smith, W. Paul, D. Y. Yoon, A. Zirkel, J. Hendricks, D. Richter, H. Schober, Local Dynamics in a Long-chain Alkane Melt from Molecular Dynamics Simulations and Neutron Scattering Experiments, J. Chem. Phys. 107, 4751 (1997).
  • H. Weber, W. Paul, W. Kob, K. Binder, Small angle excess scattering: Glassy freezing or local orientational ordering, Phys. Rev. Lett., 78, 2136 (1997)
  • E. V. Albano, K. Binder, W. Paul, Capillary condensation in the two-dimensional lattice gas: A Monte Carlo test of fluctuation corrections to the Kelvin equation, J. Phys. A: Math. Gen. 30, 3285 (1997).
  • W. Paul, K. Binder, M. Wolfgardt, J. Baschnagel, V. Tries, Monte Carlo Simulations of the Polymer Glass Transition: From the Test of Theories to Material Modeling, Macromol. Symp. 121, 111 (1997).

1996

  • W. Paul, Monte Carlo Simulation of the Glassy Freezing in Po lymer Melts: Recent Progress, in Workshop on non equilibrium phenomena in supercooled fluids, glasses and amorphous materials, M. Giordano, D. Leporini and M. P Tosi eds., World Scientific (Singapore) 1996, p 220-227.
  • M. Wolfgardt, J. Baschnagel, W. Paul, K. Binder, The Entropy of Glassy Polymer Melts: Comparison between Gibbs-DiMarzio Theory and Simulation, Phys. Rev. E., 54, 1535 (1996)

1995

  • K. Binder, J. Baschnagel, W. Paul, H.-P. Wittmann, M. Wolfgardt, Monte Carlo simulations of the glass transition of polymers: what can we learn?, J. Comp. Mat. Sci. 4, 309 (1995)
  • W. Paul, Do Y. Yoon, Stochastic Phase Space Dynamics with Constraints for Molecular Systems, Phys. Rev. E 92, 2076 (1995)
  • W. Paul, Do Y. Yoon, G. D. Smith, An Optimzed United Atom Model for the Simulation of Polymethylene, J. Chem. Phys. 103, 1702, (1995)

1994

  • M. Müller, W. Paul, The Annihilating Random Walk as a Model for Domain Growth in One Dimension, Europhys. Lett. 25, 79 (1994)
  • W. Paul, N. Pistoor, A Mapping of Realistic onto Abstract Polymer Models and an Application to Two Bisphenol Polycarbonates, Macromolecules 27, 1249 (1994)
  • A. Milchev, W. Paul, K. Binder, Polymer chains confined into tubes with attractive walls: A Monte Carlo simulation, Marcomol. Theory Simul. 3, 305 (1994)
  • J. Wittmer, W. Paul, K. Binder, The intermediate coherent scattering function of entangled polymer melts: a Monte Carlo test of des Cloizeaux' theory, J. Phys. II France 4, 873 (1994)
  • M. Müller, W. Paul, Measuring the Chemical Potential of Polymer Solutions and Melts in Computer Simulations, J. Chem. Phys. 100, 719, (1994)
  • W. Paul, Computer Modelling of the Polymer Glass Transition, J. Non-Cryst. Sol. 172-174, 682 (1994)

1993

  • W. Paul, K. Binder, J. Batoulis, B. Pittel, K. H. Sommer, Monte Carlo Modelling of the Polymer Glass Transition, Polym. Prep. 33, 535 (1992); Macromol. Chem., Marcomol. Symp., 65, 1 (1993)
  • J. Wittmer, W. Paul, K. Binder, Rouse and Reptation Dynamics at finite temperatures, Macromolecules 25, 7211 (1992)
  • K. Binder, W. Paul, H. P. Wittmann, J. Baschnagel, K. Kremer, D. W. Heermann, Computer simulation of the glass transition of polymer melts, Progr. Colloid Polym. Sci. 91, 5 (1993)
  • I. Gerroff, A. Milchev, K. Binder, W. Paul, A new off-lattice Monte Carlo model for polymers: A comparison of static and dynamic properties with the bond fluctuation modela and application to random media, J. Chem. Phys. 98, 6526 (1993)
  • A. Milchev, W. Paul, K. Binder, Off-lattice Monte Carlo simulation of dilute and concentrated polymer solution under theta-conditions, J. Chem. Phys. 99, 4786 (1993)
  • M. Müller, W. Paul, Ordering Kinetics in Quasi-One-Dimensional Ising-Like Systems, J. Stat. Phys. 73, 209 (1993)

1992

  • E.V. Albano, K. Binder, D. W. Heermann, W. Paul, Kinetics of domain growth in finite Ising strips, Physica A, 183, 130 (1992)
  • W. Paul, Monte Carlo Simulations of the Polymer Glass Transition, in Slow Dynamics in Condensed Matter, AIP Conference Proceedings 256, American Institute of Physics, New York 1992, pp. 145-154
  • J. Baschnagel, W. Paul, K. Binder, H. P. Wittmann, Monte Carlo Simulation of the Glass Transition in Dense Three-dimensional Polymer Melts, Trends in Non-Crystalline Solids, A. Lande, C. F. Lande und M. Millan, eds, World Scientific: Singapore, 1992, p.285

1991

  • W. Paul, K. Binder, D. W. Heermann, K. Kremer, Crossover scaling in semidilute polymer solutions: a Monte Carlo test, J. Phys. II 1, 37 (1991)
  • W. Paul, K. Binder, D. W. Heermann, K. Kremer, Self diffusion in polymer solutions using the bond-fluctuation MC algorithm, J. Non-Cryst. Solids 131-133, 650 (1991)
  • W. Paul, K. Binder, D. W. Heermann, K. Kremer, Dynamics of Polymer Solutions and Melts: Reptation Predictions and Scaling of Relaxation Times, J. Chem. Phys. 95, 7726 (1991)
  • W. Paul, K. Binder, K. Kremer, D. W. Heermann, Structure Property Correlations of Polymers: a Monte Carlo Approach, Macromolecules 24, 6332 (1991)
  • J. Baschnagel, K. Binder, W. Paul, M. Laso, U. W. Suter, I. Batoulis, W. Jilge, T. Bürger, On the Construction of coarse-grained models for linear flexible polymer chains: distribution functions for groups of consecutive monomers, J. Chem. Phys. 95, 6014 (1991)
  • J. Baschnagel, K. Quin, W. Paul, K. Binder, Monte Carlo Simulation of Models for single Polyethylene coils, Macromolecules 25, 3117 (1992)
  • B. Dünweg, W. Paul, Brownian Dynamics Simulations without Gaussian Random Numbers, Int. J. Modern Phys. C 2, 817 (1991)
  • I. Batoulis, K. Binder, F. T. Gentile, D. W. Heermann, W. Jilge, K. Kremer,M. Laso, P. J. Ludovice, L. Morbitzer, W. Paul, B. Pittel, R. Plaetschke, R. Reuter, K. H. Sommer, U. W. Suter, R. Timmermann, G. Weymans, Correlation Between Primary Chemical Structure and Property Phenomena in Polycondensates, Advanced Materials 3,590 (1991)

1990

  • E. V. Albano, K. Binder, D. W. Heermann, W. Paul, Critical Wetting in the Square Ising Model with a boundary field, J. Stat. Phys 61, 161 (1990)

1989

  • W. Paul, D. W. Heermann, K. Binder, Relaxation of metastable states in finite mean-field kinetic Ising systems, J. Phys. A 22, 3325 (1989)
  • W. Paul, D. W. Heermann, R. C. Desai, Implementation of a Random Number Generator in OCCAM, J. Comp. Phys. 82, 487 (1989)
  • E. V. Albano, K. Binder, D. W. Heermann, W. Paul, Adsorption on stepped surfaces: a Monte Carlo simulation, Surface Science 223, 151 (1989)
  • E. V. Albano, K. Binder, D. W.Heermann, W. Paul, Shift of first-order phase transitions in thin films due to boundary fields: A computer simulation, J. Chem. Phys 91, 3700 (1989)
  • E. V. Albano, K. Binder, D. W. Heermann, W. Paul, The Ising square latice in a L x M geometry: A model for the effect of surface steps on phase transitions in adsorbed monolayers, Z. Phys B 77, 445 (1989)

1988

  • W. Paul, D. W. Heermann, Metastable States Studied by Relaxation Paths, Europhys. Lett. 6, 701 (1988)

1987

  • D. W. Heermann, W. Paul, B. Schmittmann, in Computational Physics, R. D. Kenway and G. S. Pawley ed., Edinburgh University Press, Edinburgh 1987

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