Institut Charles Sadron Membre

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4. Jörg Baschnagel

University training, degrees and professional experience

1984-1990	Chemistry major at the Johannes Gutenberg-University Mainz (Germany), including foreign studies in the USA at the University of Massachusetts, Amherst, Polymer Science and Engineering Department (1987/1988)
1993	Teaching assistant and doctoral thesis at the Physics Department of the Johannes Gutenberg-University Mainz (Germany). Supervisor: Prof. K. Binder
1995-1997	Post-doc with Prof. J.-F. Joanny at the Institut Charles Sadron, Strasbourg (France)
1999	Habilitation in Theoretical Physics at the Johannes Gutenberg-University Mainz (Germany). Mentor: Prof. K. Binder
Since 1999	Professor of Physics at the University of Strasbourg (France)

Research activities (and some publications)

• Molecular simulations in soft matter physics
  
  • Review of Monte Carlo simulation of coarse-grained polymer models [J. Baschnagel, J. P. Wittmer, H. Meyer (NIC Series 23, 83 (2004)]
  • Analysis of the dynamical properties of the slithering snake algorithm and a numerical test of the activated reptation hypothesis [L. Mattioni et al., Eur. Phys. J. E 10, 369 (2003)]
• Conformation, structure and dynamics of polymer solutions and melts
  
  • In polymer melts excluded volume interactions are not screened down to the monomer scale. They lead to long-range correlations and so to corrections to chain ideality [J. P. Wittmer et al., Phys. Rev. E 76, 011803 (2007)]
  • In polymer melts hydrodynamic interactions are not screened for all times: Mediated by the melt’s viscoelasticity these interactions impact the polymer dynamics [J. Farago et al., Phys. Rev. E 85, 051807 (2012); J. Phys.: Condens. Matter 24, 284105 (2012)]
  • MD simulations verify that self-avoiding chains in strictly two-dimensional melts are segregated and compact, and have a fractal boundary [H. Meyer et al., J. Chem. Phys. 132, 184904 (2010)]
• Slow dynamics in supercooled polymer melts and other complex liquids
  
  • Dynamic heterogeneities and higher-order correlation functions: In a polymer melt the range of correlated motion of the monomers grows on cooling towards the glass transition [C. Bennemann et al., Nature 399, 246 (1999)]
  • Extension of idealized mode-coupling theory to polymer melts and ab-initio comparison with MD simulations [S.-H. Chong et al., Phys. Rev. E 76, 051806 (2007) ; S. Frey et al., Eur. Phys. J. E 38, 11 (2015)]
  • At low temperatures monomers display jump-like motion which can be analyzed in terms of continuous-time random walks: methodology, mean-square displacement, van Hove correlation function [J. Helfferich et al., Phys. Rev. E 89, 042603 (2014); Phys. Rev. E 89, 042604 (2014); Eur. Phys. J. E 41, 71 (2018)]
  • The Voronoi binary liquid - a model for a simple fluid whose interactions are defined in terms of the Voronoi cells of the configurations and are thus local and many-body: Structural properties, glassy dynamics, and composition fluctuations [C. Ruscher et al., Phys. Rev. E 97, 032132 (2018); J. Phys.: Condens. Matter 33, 064001 (2021)]
  • A two-dimensional polydisperse glass-forming Lennard-Jones system: Analysis, both by theory and MD simulations, of the spatio-temporal correlations of the local stress tensor shows that for this isotopic, achiral, equilibrium system these correlations are long-ranged at low temperature when elasticity emerges [L. Klochko et al., J. Chem. Phys. 156, 164505 (2022)]
    
• Mechanical and viscoelastic properties of amorphous systems
  
  • Mechanical behavior of linear amorphous polymers: Comparison between molecular dynamics and finite-element simulations [M. Solar et al., Phys. Rev. E 85, 021808 (2012)]
  • Shear modulus in simple glass formers, isotropic networks and polymer glasses: Application of the stress-fluctuation formalism and relation to the shear relaxation modulus, effects of temperature and sampling time [J. P. Wittmer et al., J. Chem. Phys. 138, 12A533 (2013); I. Kriuchevskyi et al., Phys. Rev. E. 97, 012502 (2018); L. Klochko et al., J. Chem. Phys. 151, 054504 (2019)]
  • Shear stress relaxation in self-assembled transient networks : A simple model for "vitrimers" [J. P. Wittmer et al., Phys. Rev. E 93, 062611 (2016)]
• Polymers at interfaces
  
  • MD results on the pressure tensor of polymer films [F. Varnik, J. Baschnagel, K. Binder, J. Chem. Phys. 113, 4444 (2000)]
  • Concentrated polymer solutions in a thin-film geometry : From equilibrium properties to solvent evaporation [S. Peter, H. Meyer, J. Baschnagel, J. Chem. Phys. 131, 014902 (2009) ; J. Chem. Phys. 131, 014903 (2009)]
  • Frictional forces and shear thinning in compressed nonentangled polymer brushes : Scaling theory, MD simulations and comparison to experiment [A. Galuschko et al., Langmuir 26, 6418 (2010)]
  • Molecular dynamics simulations show that viscoelastic effects are important to understand the capillary leveling of a step of a thin polymer film on an underlayer of the same polymer material [I. Tanis et al. J. Chem. Phys. 146, 203327 (2017)]
• Polymer crystallization
  
  • On the role of short chain branches (SCBs) in crystalline model polyethylenes: lamella thickness decreases systematically with both faster cooling and increasing SCB content [W. S. Fall et al., Macromolecules 55, 8438 (2022)]

Professional activities, outreach

2001-2006	Member of the directory board (with P. Lutz, Strasbourg / K. Kremer & D. Vollmer, Mainz) of the European Associate Laboratory between the Institut Charles Sadron and the Max-Planck Institute for Polymer Research (MPIP, Mainz, Germany)
2001-2010	Direction (“Spokesperson”) with G. Maret (Konstanz, Germany) of the International Research Training Group (IRTG) “Soft Condensed Matter Physics of Model Systems” between Konstanz, Strasbourg and Grenoble
2005-2021	Head of the “Theory and Simulation of Polymers” group (Institut Charles Sadron)
2008-2021	Associate editor of the European Physical Journal E
2009-2015	Member of the scientific advisory board of the Leibniz-Institute for Polymer Research (IPF) at Dresden (Germany)
2010-2019	Direction (“Spokesperson”) with G. Reiter (Freiburg, Germany) of the International Research Training Group (IRTG) “Soft Matter Science: Concepts for the Design of Functional Materials” with Freiburg, Basel, Mulhouse and Strasbourg
2012-2015	Deputy member of the “Conseil National des Universités (CNU)” (Section 28)
Since 2014	Member of the directory board (with Prof. V. Le Houérou, Strasbourg and Prof. P. Shastri, Freiburg) of the International Master of Polymer Science between the Universities of Freiburg and Strasbourg
2016-2020	Member of the steering committee of the CPER AlsaCalcul 2015–2020
Since 2021	Member of the graduate school committee of the Interdisciplinary Thematic Institut (ITI) “HiFunMat"

Awards, distinctions

• Award of the Johannes Gutenberg-University with the Diploma in Chemistry (1991)
  
• Johannes-Gutenberg award of the Chemistry Department with the PhD thesis (1994)
  
• Junior Member of the Institut Universitaire de France (2003-2008)
• Young Investigator award of the joint division of the SFP–GFP (French Physical Society-French Polymer Research Association, 2004)

Publications

• Books: Stochastic Processes : From Physics to Finance (Springer, 2013)
• Some review articles:
  • J. Baschnagel et al., Bridging the Gap Between Atomistic and Coarse-Grained Models of Polymers : Status and Perspectives, Adv. Polym. Sci. 152, 41 (2000)
  • J. Baschnagel, F. Varnik, Computer simulations of supercooled polymer melts in the bulk and in confined geometry, J. Phys. : Condens. Matter 17, R851 (2005)
  • J. P. Wittmer et al., Scale-Free Static and Dynamical Correlations in Melts of Monodisperse and Flory-Distributed Homopolymers, J. Stat. Phys. 145, 1017 (2011)
  • N. Schulmann et al., Strictly two-dimensional self-avoiding walks : Density crossover scaling, Polym. Sci. Series C 55, 990 (2013)
  • J. Baschnagel et al., Glass Transition and Relaxation Behavior of Supercooled Polymer Melts : An Introduction to Modeling Approaches by Molecular Dynamics Simulations and to Comparisons With Mode-Coupling Theory, in Polymer Glasses, edited by C. Roth (CRC Press, Taylor & Francis group, 2016, pp. 55-106)
• Recent publications:

2022

Klochko, L.; Baschnagel, J.; Wittmer, J.P.; Meyer, H.; Benzerara, O.; Semenov, A.N. (2022), Theory of length-scale dependent relaxation moduli and stress fluctuations in glass-forming and viscoelastic liquids,Journal Of Chemical Physics,156(16) : link

Reiter, G.; Ramezani, F.; Baschnagel, J. (2022), The memory of thin polymer films generated by spin coating,European Physical Journal E,45(5) : link

Demydiuk, F.; Solar, M.; Meyer, H.; Benzerara, O.; Paul, W.; Baschnagel, J. (2022), Role of torsional potential in chain conformation, thermodynamics, and glass formation of simulated polybutadiene melts,Journal Of Chemical Physics,156(23) : link

Klochko, L.; Baschnagel, J.; Wittmer, J.; Semenov, A. (2022), Stress Fluctuations in Glass-Forming Systems: Elastic Response and Long-Range Correlations,Macromolecular Symposia,405(1, Si) : link

Wittmer, J.P.; Semenov, A.N.; Baschnagel, J. (2022), Different types of spatial correlation functions for non-ergodic stochastic processes of macroscopic systems,European Physical Journal E,45(8) : link

2021

George, G.; Klochko, L.; Semenov, A.N.; Baschnagel, J.; Wittmer, J.P. (2021), Simple models for strictly non-ergodic stochastic processes of macroscopic systems,European Physical Journal E,44(10) : link

Klochko, L.; Baschnagel, J.; Wittmer, J.P.; Semenov, A.N. (2021), General relations to obtain the time-dependent heat capacity from isothermal simulations,Journal Of Chemical Physics,154(16) : link

George, G.; Klochko, L.; Semenov, A.N.; Baschnagel, J.; Wittmer, J.P. (2021), Fluctuations of non-ergodic stochastic processes,European Physical Journal E,44(4) : link

Ruscher, C.; Ciarella, S.; Luo, C.; Janssen, L.M.C.; Farago, J.; Baschnagel, J. (2021), Glassy dynamics of a binary Voronoi fluid: a mode-coupling analysis,Journal Of Physics-Condensed Matter,33(6) : link

George, G.; Klochko, L.; Semenov, A.N.; Baschnagel, J.; Wittmer, J.P. (2021), Ensemble fluctuations matter for variances of macroscopic variables,European Physical Journal E,44(2) : link

Klochko, L.; Baschnagel, J.; Wittmer, J.P.; Semenov, A.N. (2021), Relaxation moduli of glass-forming systems: temperature effects and fluctuations,Soft Matter,17(34) : 7867-7892 link

2020

Klochko, L.; Baschnagel, J.; Wittmer, J.P.; Benzerara, O.; Ruscher, C.; Semenov, A.N. (2020), Composition fluctuations in polydisperse liquids: Glasslike effects well above the glass transition,Physical Review E,102(4) : link

Ramezani, F.; Baschnagel, J.; Reiter, G. (2020), Translating molecular relaxations in non-equilibrated polymer melts into lifting macroscopic loads,Physical Review Materials,4(8) : link

2019

Klochko, L.; Baschnagel, J.; Wittmer, J.P.; Semenov, A.N. (2019), Relaxation dynamics in supercooled oligomer liquids: From shear-stress fluctuations to shear modulus and structural correlations,Journal Of Chemical Physics,151(5) : link

Diddens, D.; Baschnagel, J.; Johner, A. (2019), Microscopic Structure of Compacted Polyelectrolyte Complexes: Insights from Molecular Dynamics Simulations,Acs Macro Letters,8(2) : 123-127 link

Chandran, S.; Baschnagel, J.; Cangialosi, D.; Fukao, K.; Glynos, E.; Janssen, L.M.C.; Mueller, M.; Muthukumar, M.; Steiner, U.; Xu, J.; Napolitano, S.; Reiter, G. (2019), Processing Pathways Decide Polymer Properties at the Molecular Level,Macromolecules,52(19) : 7146-7156 link

2018

George, G.; Kriuchevskyi, I.; Meyer, H.; Baschnagel, J.; Wittmer, J.P. (2018), Shear-stress relaxation in free-standing polymer films,Physical Review E,98(6) : link

Klochko, L.; Baschnagel, J.; Wittmer, J.P.; Semenov, A.N. (2018), Long-range stress correlations in viscoelastic and glass-forming fluids,Soft Matter,14(33) : 6835-6848 link

Helfferich, J.; Brisch, J.; Meyer, H.; Benzerara, O.; Ziebert, F.; Farago, J.; Baschnagel, J. (2018), Continuous-time random-walk approach to supercooled liquids: Self-part of the van Hove function and related quantities,European Physical Journal E,41(6) : link

Ruscher, C.; Baschnagel, J.; Farago, J. (2018), Voronoi glass-forming liquids: A structural study,Physical Review E,97(3) : link

Kriuchevskyi, I.; Wittmer, J.P.; Meyer, H.; Benzerara, O.; Baschnagel, J. (2018), Shear-stress fluctuations and relaxation in polymer glasses,Physical Review E,97(1) : link

2017

Kriuchevskyi, I.; Wittmer, J.P.; Meyer, H.; Baschnagel, J. (2017), Shear Modulus and Shear-Stress Fluctuations in Polymer Glasses,Physical Review Letters,119(14) : link

Chapuis, P.; Montgomery, P.C.; Anstotz, F.; Leong-Hoi, A.; Gauthier, C.; Baschnagel, J.; Reiter, G.; McKenna, G.B.; Rubin, A. (2017), A novel interferometric method for the study of the viscoelastic properties of ultra-thin polymer films determined from nanobubble inflation,Review Of Scientific Instruments,88(9) : link

Tanis, I.; Meyer, H.; Salez, T.; Raphael, E.; Maggs, A.C.; Baschnagel, J. (2017), Molecular dynamics simulation of the capillary leveling of viscoelastic polymer films,Journal Of Chemical Physics,146(20) : link

Ruscher, C.; Semenov, A.N.; Baschnagel, J.; Farago, J. (2017), Anomalous sound attenuation in Voronoi liquid,Journal Of Chemical Physics,146(14) : link

Kriuchevskyi, I.; Wittmer, J.P.; Benzerara, O.; Meyer, H.; Baschnagel, J. (2017), Numerical determination of shear stress relaxation modulus of polymer glasses,European Physical Journal E,40(4) : link

Dolgushev, M.; Wittmer, J.P.; Johner, A.; Benzerara, O.; Meyer, H.; Baschnagel, J. (2017), Marginally compact hyperbranched polymer trees,Soft Matter,13(13) : 2499-2512 link

Duranty, E.R.; Baschnagel, J.; Dadmun, M. (2017), Diffusion of copolymers composed of monomers with drastically different friction factors in copolymer/homopolymer blends,Journal Of Chemical Physics,146(5) : link

Montgomery, P.C.; Chapuis, P.; Leong-Ho, A.; Anstotz, F.; Rubin, A.; Baschnagel, J.; Gauthier, C.; Reiter, G.; McKenna, G.B. (2017), Optical nanoscopy characterization of nanofilms,Inera Workshop 2016: Membrane And Liquid Crystal Nanostructures (Melina 2016),() : link

2016

Wittmer, J.P.; Kriuchevskyi, I.; Cavallo, A.; Xu, H.; Baschnagel, J. (2016), Shear-stress fluctuations in self-assembled transient elastic networks,Physical Review E,93(6) : link

Diddens, D.; Lee, N.-K.; Obukhov, S.; Baschnagel, J.; Johner, A. (2016), Disentanglement of Two Single Polymer Chains: Contacts and Knots,Acs Macro Letters,5(6) : 740-744 link

Wittmer, J.P.; Xu, H.; Baschnagel, J. (2016), Simple average expression for shear-stress relaxation modulus,Physical Review E,93(1) : link

Baschnagel, J.; Meyer, H.; Wittmer, J.; Kulic, I.; Mohrbach, H.; Ziebert, F.; Nam, G.-M.; Lee, N.-K.; Johner, A. (2016), Semiflexible Chains at Surfaces: Worm-Like Chains and beyond,Polymers,8(8) : link

2015

Ruscher, C.; Baschnagel, J.; Farago, J. (2015), The Voronoi liquid,Epl,112(6) : link

Wittmer, J.P.; Kriuchevskyi, I.; Baschnagel, J.; Xu, H. (2015), Shear-strain and shear-stress fluctuations in generalized Gaussian ensemble simulations of isotropic elastic networks,European Physical Journal B,88(9) : link

Wittmer, J.P.; Xu, H.; Benzerara, O.; Baschnagel, J. (2015), Fluctuation-dissipation relation between shear stress relaxation modulus and shear stress autocorrelation function revisited,Molecular Physics,113(17-18, Si) : 2881-2893 link

Frey, S.; Weysser, F.; Meyer, H.; Farago, J.; Fuchs, M.; Baschnagel, J. (2015), Simulated glass-forming polymer melts: Dynamic scattering functions, chain length effects, and mode-coupling theory analysis,European Physical Journal E,38(2) : link

Wittmer, J.P.; Xu, H.; Baschnagel, J. (2015), Shear-stress relaxation and ensemble transformation of shear-stress autocorrelation functions,Physical Review E,91(2) : link

Helfferich, J.; Vollmayr-Lee, K.; Ziebert, F.; Meyer, H.; Baschnagel, J. (2015), Glass formers display universal non-equilibrium dynamics on the level of single-particle jumps,Epl,109(3) : link

2014

Farago, J.; Semenov, A.; Frey, S.; Baschnagel, J. (2014), New conserved structural fields for supercooled liquids,European Physical Journal E,37(6) : link

Helfferich, J.; Ziebert, F.; Frey, S.; Meyer, H.; Farago, J.; Blumen, A.; Baschnagel, J. (2014), Continuous-time random-walk approach to supercooled liquids. II. Mean-square displacements in polymer melts,Physical Review E,89(4) : link

Helfferich, J.; Ziebert, F.; Frey, S.; Meyer, H.; Farago, J.; Blumen, A.; Baschnagel, J. (2014), Continuous-time random-walk approach to supercooled liquids. I. Different definitions of particle jumps and their consequences,Physical Review E,89(4) : link

Johner, A.; Thalmann, F.; Baschnagel, J.; Meyer, H.; Obukhov, S.; Wittmer, J.P. (2014), Two-dimensional polymeric liquids and polymer stars: learning from conflicting theories,Journal Of Statistical Mechanics-Theory And Experiment,() : link

Polinska, P.; Gillig, C.; Wittmer, J.P.; Baschnagel, J. (2014), Hyperbranched polymer stars with Gaussian chain statistics revisited,European Physical Journal E,37(2) : link

Obukhov, S.; Johner, A.; Baschnagel, J.; Meyer, H.; Wittmer, J.P. (2014), Melt of polymer rings: The decorated loop model,Epl,105(4) : link

2013

Wittmer, J.P.; Xu, H.; Polinska, P.; Gillig, C.; Helfferich, J.; Weysser, F.; Baschnagel, J. (2013), Compressibility and pressure correlations in isotropic solids and fluids,European Physical Journal E,36(11) : 1-17 link

Wittmer, J.P.; Xu, H.; Polinska, P.; Weysser, F.; Baschnagel, J. (2013), Communication: Pressure fluctuations in isotropic solids and fluids,Journal Of Chemical Physics,138(19) : link

Wittmer, J.P.; Xu, H.; Polinska, P.; Weysser, F.; Baschnagel, J. (2013), Shear modulus of simulated glass-forming model systems: Effects of boundary condition, temperature, and sampling time,Journal Of Chemical Physics,138(12) : link

2012

Xu, H.; Wittmer, J.P.; Polinska, P.; Baschnagel, J. (2012), Impulsive correction to the elastic moduli obtained using the stress-fluctuation formalism in systems with truncated pair potential,Physical Review E,86(4, 2) : link

Schulmann, N.; Xu, H.; Meyer, H.; Polinska, P.; Baschnagel, J.; Wittmer, J.P. (2012), Strictly two-dimensional self-avoiding walks: Thermodynamic properties revisited,European Physical Journal E,35(9) : link

Farago, J.; Meyer, H.; Baschnagel, J.; Semenov, A.N. (2012), Hydrodynamic and viscoelastic effects in polymer diffusion,Journal Of Physics-Condensed Matter,24(28) : link

Farago, J.; Semenov, A.N.; Meyer, H.; Wittmer, J.P.; Johner, A.; Baschnagel, J. (2012), Mode-coupling approach to polymer diffusion in an unentangled melt. I. The effect of density fluctuations,Physical Review E,85(5, 1) : link

Farago, J.; Meyer, H.; Baschnagel, J.; Semenov, A.N. (2012), Mode-coupling approach to polymer diffusion in an unentangled melt. II. The effect of viscoelastic hydrodynamic interactions,Physical Review E,85(5, 1) : link

Solar, M.; Meyer, H.; Gauthier, C.; Fond, C.; Benzerara, O.; Schirrer, R.; Baschnagel, J. (2012), Mechanical behavior of linear amorphous polymers: Comparison between molecular dynamics and finite-element simulations,Physical Review E,85(2, 1) : link

Schulmann, N.; Meyer, H.; Wittmer, J.P.; Johner, A.; Baschnagel, J. (2012), Interchain Monomer Contact Probability in Two-Dimensional Polymer Solutions,Macromolecules,45(3) : 1646-1651 link

2011

Wittmer, J.P.; Schulmann, N.; Polinska, P.; Baschnagel, J. (2011), Note: Scale-free center-of-mass displacement correlations in polymer films without topological constraints and momentum conservation,Journal Of Chemical Physics,135(18) : link

Wittmer, J.P.; Cavallo, A.; Xu, H.; Zabel, J.E.; Polinska, P.; Schulmann, N.; Meyer, H.; Farago, J.; Johner, A.; Obukhov, S.P.; Baschnagel, J. (2011), Scale-Free Static and Dynamical Correlations in Melts of Monodisperse and Flory-Distributed Homopolymers A Review of Recent Bond-Fluctuation Model Studies,Journal Of Statistical Physics,145(4) : 1017-1126 link

Solar, M.; Meyer, H.; Gauthier, C.; Benzerara, O.; Schirrer, R.; Baschnagel, J. (2011), Molecular dynamics simulations of the scratch test on linear amorphous polymer surfaces: A study of the local friction coefficient,Wear,271(11-12) : 2751-2758 link

Schnell, B.; Meyer, H.; Fond, C.; Wittmer, J.P.; Baschnagel, J. (2011), Simulated glass-forming polymer melts: Glass transition temperature and elastic constants of the glassy state,European Physical Journal E,34(9) : link

Wittmer, J.P.; Polinska, P.; Meyer, H.; Farago, J.; Johner, A.; Baschnagel, J.; Cavallo, A. (2011), Scale-free center-of-mass displacement correlations in polymer melts without topological constraints and momentum conservation: A bond-fluctuation model study,Journal Of Chemical Physics,134(23) : link

Spirin, L.; Galuschko, A.; Kreer, T.; Binder, K.; Baschnagel, J. (2011), Polymer-Brush Lubricated Surfaces with Colloidal Inclusions under Shear Inversion,Physical Review Letters,106(16) : link

Lee, N.-K.; Farago, J.; Meyer, H.; Wittmer, J.P.; Baschnagel, J.; Obukhov, S.P.; Johner, A. (2011), Non-ideality of polymer melts confined to nanotubes,Epl,93(4) : link

2010

Spirin, L.; Galuschko, A.; Kreer, T.; Johner, A.; Baschnagel, J.; Binder, K. (2010), Polymer-brush lubrication in the limit of strong compression,European Physical Journal E,33(4) : 307-311 link

Solar, M.; Meyer, H.; Gauthier, C.; Benzerara, O.; Pelletier, H.; Schirrer, R.; Baschnagel, J. (2010), Molecular dynamics simulations as a way to investigate the local physics of contact mechanics: a comparison between experimental data and numerical results,Journal Of Physics D-Applied Physics,43(45) : link

Wittmer, J.P.; Meyer, H.; Johner, A.; Kreer, T.; Baschnagel, J. (2010), Algebraic Displacement Correlation in Two-Dimensional Polymer Melts,Physical Review Letters,105(3) : link

Durand, M.; Meyer, H.; Benzerara, O.; Baschnagel, J.; Vitrac, O. (2010), Molecular dynamics simulations of the chain dynamics in monodisperse oligomer melts and of the oligomer tracer diffusion in an entangled polymer matrix,Journal Of Chemical Physics,132(19) : link

Meyer, H.; Wittmer, J.P.; Kreer, T.; Johner, A.; Baschnagel, J. (2010), Static properties of polymer melts in two dimensions,Journal Of Chemical Physics,132(18) : link

Galuschko, A.; Spirin, L.; Kreer, T.; Johner, A.; Pastorino, C.; Wittmer, J.; Baschnagel, J. (2010), Frictional Forces between Strongly Compressed, Nonentangled Polymer Brushes: Molecular Dynamics Simulations and Scaling Theory,Langmuir,26(9) : 6418-6429 link

Wittmer, J.P.; Johner, A.; Cavallo, A.; Beckrich, P.; Crevel, F.; Baschnagel, J. (2010), Non-extensivity of the chemical potential of polymer melts,European Physical Journal E,31(3) : 229-237 link

Wittmer, J.P.; Johner, A.; Obukhov, S.P.; Meyer, H.; Cavallo, A.; Baschnagel, J. (2010), Distance Dependence of Angular Correlations in Dense Polymer Solutions,Macromolecules,43(3) : 1621-1628 link

2009

Wittmer, J.P.; Cavallo, A.; Kreer, T.; Baschnagel, J.; Johner, A. (2009), A finite excluded volume bond-fluctuation model: Static properties of dense polymer melts revisited,Journal Of Chemical Physics,131(6) : link

Peter, S.; Meyer, H.; Baschnagel, J. (2009), Molecular dynamics simulations of concentrated polymer solutions in thin film geometry. II. Solvent evaporation near the glass transition,Journal Of Chemical Physics,131(1) : link

Peter, S.; Meyer, H.; Baschnagel, J. (2009), Molecular dynamics simulations of concentrated polymer solutions in thin film geometry. I. Equilibrium properties near the glass transition,Journal Of Chemical Physics,131(1) : link

Meyer, H.; Kreer, T.; Aichele, M.; Cavallo, A.; Johner, A.; Baschnagel, J.; Wittmer, J.P. (2009), Perimeter length and form factor in two-dimensional polymer melts,Physical Review E,79(5) : link

Peter, S.; Meyer, H.; Baschnagel, J. (2009), MD simulation of concentrated polymer solutions: Structural relaxation near the glass transition,European Physical Journal E,28(2) : 147-158 link

2008

Meyer, H.; Wittmer, J.P.; Kreer, T.; Beckrich, P.; Johner, A.; Farago, J.; Baschnagel, J. (2008), Static Rouse modes and related quantities: Corrections to chain ideality in polymer melts,European Physical Journal E,26(1-2) : 25-33 link

Peter, S.; Napolitano, S.; Meyer, H.; Wubbenhorst, M.; Baschnagel, J. (2008), Modeling Dielectric Relaxation in Polymer Glass Simulations: Dynamics in the Bulk and in Supported Polymer Films,Macromolecules,41(20) : 7729-7743 link

2007

Chong, S.-H.; Aichele, M.; Meyer, H.; Fuchs, M.; Baschnagel, J. (2007), Structural and conformational dynamics of supercooled polymer melts: Insights from first-principles theory and simulations,Physical Review E,76(5, 1) : link

Eurich, F.; Karatchentsev, A.; Baschnagel, J.; Dieterich, W.; Maass, P. (2007), Soft particle model for block copolymers,Journal Of Chemical Physics,127(13) : link

Henrich, O.; Puertas, A.M.; Sperl, M.; Baschnagel, J.; Fuchs, M. (2007), Bond formation and slow heterogeneous dynamics in adhesive spheres with long-ranged repulsion: Quantitative test of mode coupling theory,Physical Review E,76(3, 1) : link

Wittmer, J.P.; Beckrich, P.; Meyer, H.; Cavallo, A.; Johner, A.; Baschnagel, J. (2007), Intramolecular long-range correlations in polymer melts: The segmental size distribution and its moments,Physical Review E,76(1, 1) : link

Peter, S.; Meyer, H.; Baschnagel, J.; Seemann, R. (2007), Slow dynamics and glass transition in simulated free-standing polymer films: a possible relation between global and local glass transition temperatures,Journal Of Physics-Condensed Matter,19(20) : link

Vettorel, T.; Meyer, H.; Baschnagel, J.; Fuchs, M. (2007), Structural properties of crystallizable polymer melts: Intrachain and interchain correlation functions,Physical Review E,75(4, 1) : link

Meyer, H.; Kreer, T.; Cavallo, A.; Wittmer, J.P.; Baschnagel, J. (2007), On the dynamics and disentanglement in thin and two-dimensional polymer films,European Physical Journal-Special Topics,141() : 167-172 link

Wittmer, J.P.; Beckrich, P.; Johner, A.; Semenov, A.N.; Obukhov, S.P.; Meyer, H.; Baschnagel, J. (2007), Why polymer chains in a melt are not random walks,Epl,77(5) : link

2006

Peter, S.; Meyer, H.; Baschnagel, J. (2006), Thickness-dependent reduction of the glass-transition temperature in thin polymer films with a free surface,Journal Of Polymer Science Part B-Polymer Physics,44(20) : 2951-2967 link

Binder, K.; Baschnagel, J.; Muller, M.; Paul, W.; Rampf, F. (2006), Simulation of phase transitions of single polymer chains: Recent advances,Macromolecular Symposia,237() : 128-138 link

2005

Baschnagel, J.; Varnik, F. (2005), Computer simulations of supercooled polymer melts in the bulk and in-confined geometry,Journal Of Physics-Condensed Matter,17(32) : 851 link

2004

Kreer, T.; Metzger, S.; Muller, M.; Binder, K.; Baschnagel, J. (2004), Static properties of end-tethered polymers in good solution: A comparison between different models,Journal Of Chemical Physics,120(8) : 4012-4023 link

Aichele, M.; Chong, S.H.; Baschnagel, J.; Fuchs, M. (2004), Static properties of a simulated supercooled polymer melt: Structure factors, monomer distributions relative to the center of mass, and triple correlation functions,Physical Review E,69(6, 1) : link

Wittmer, J.P.; Meyer, H.; Baschnagel, J.; Johner, A.; Obukhov, S.; Mattioni, L.; Muller, M.; Semenov, A.N. (2004), Long range bond-bond correlations in dense polymer solutions,Physical Review Letters,93(14) : link

2003

Meyer, H.; Baschnagel, J. (2003), Structure formation of supercooled polymers in confined geometries - A molecular-dynamics simulation study,European Physical Journal E,12(1) : 147-151 link

Varnik, F.; Baschnagel, J.; Binder, K.; Mareschal, M. (2003), Confinement effects on the slow dynamics of a supercooled polymer melt: Rouse modes and the incoherent scattering function,European Physical Journal E,12(1) : 167-171 link

Metzger, S.; Muller, M.; Binder, K.; Baschnagel, J. (2003), Surface excess in dilute polymer solutions and the adsorption transition versus wetting phenomena,Journal Of Chemical Physics,118(18) : 8489-8499 link

Mattioni, L.; Wittmer, J.P.; Baschnagel, J.; Barrat, J.L.; Luijten, E. (2003), Dynamical properties of the slithering-snake algorithm: A numerical test of the activated-reptation hypothesis,European Physical Journal E,10(4) : 369-385 link

Baschnagel, J.; Meyer, H.; Varnik, F.; Metzger, S.; Aichele, M.; Muller, M.; Binder, K. (2003), Computer simulations of polymers close to solid interfaces: Some selected topics,Interface Science,11(2) : 159-173 link

Binder, K.; Baschnagel, J.; Paul, W. (2003), Glass transition of polymer melts: test of theoretical concepts by computer simulation,Progress In Polymer Science,28(1) : 115-172 link

Aichele, M.; Gebremichael, Y.; Starr, F.W.; Baschnagel, J.; Glotzer, S.C. (2003), Polymer-specific effects of bulk relaxation and stringlike correlated motion in the dynamics of a supercooled polymer melt,Journal Of Chemical Physics,119(10) : 5290-5304 link

2002

Mischler, C.; Baschnagel, J.; Dasgupta, S.; Binder, K. (2002), Structure and dynamics of thin polymer films: a case study with the bond-fluctuation model,Polymer,43(2) : 467-476 link

Kamath, S.; Colby, R.H.; Kumar, S.K.; Baschnagel, J. (2002), Thermodynamic signature of the onset of caged dynamics in glass-forming liquids,Journal Of Chemical Physics,116(3) : 865-868 link

Varnik, F.; Baschnagel, J.; Binder, K. (2002), Reduction of the glass transition temperature in polymer films: A molecular-dynamics study,Physical Review E,65(2, 1) : link

Metzger, S.; Muller, M.; Binder, K.; Baschnagel, J. (2002), Adsorption transition of a polymer chain at a weakly attractive surface: Monte Carlo simulation of off-lattice models,Macromolecular Theory And Simulations,11(9) : 985-9953.0.CO;2-U> link

Eurich, F.; Maass, P.; Baschnagel, J. (2002), Gaussian ellipsoid model for confined polymer systems,Journal Of Chemical Physics,117(9) : 4564-4577 link

Varnik, F.; Baschnagel, J.; Binder, K. (2002), Glassy dynamics in thin polymer films: recent MD results,Journal Of Non-Crystalline Solids,307() : 524-531 link

Varnik, F.; Binder, K.; Baschnagel, J. (2002), Glass transition in thin polymer films: A molecular dynamics study,International Journal Of Modern Physics C,13(6) : 799-804 link

Varnik, F.; Baschnagel, J.; Binder, K. (2002), Static and dynamic properties of supercooled thin polymer films,European Physical Journal E,8(2) : 175-192 link

2001

Mischler, C.; Baschnagel, J.; Binder, K. (2001), Polymer films in the normal-liquid and supercooled state: a review of recent Monte Carlo simulation results,Advances In Colloid And Interface Science,94(1-3, Si) : 197-227 link

Kreer, T.; Baschnagel, J.; Muller, M.; Binder, K. (2001), Monte Carlo simulation of long chain polymer melts: Crossover from Rouse to reptation dynamics,Macromolecules,34(4) : 1105-1117 link

Aichele, M.; Baschnagel, J. (2001), Glassy dynamics of simulated polymer melts: Coherent scattering and van Hove correlation functions - Part II: Dynamics in the alpha-relaxation regime,European Physical Journal E,5(2) : 245-256 link

Aichele, M.; Baschnagel, J. (2001), Glassy dynamics of simulated polymer melts: Coherent scattering and van Hove correlation functions Part I: Dynamics in the beta-relaxation regime,European Physical Journal E,5(2) : 229-243 link

2000

Varnik, F.; Baschnagel, J.; Binder, K. (2000), Molecular dynamics results on the pressure tensor of polymer films,Journal Of Chemical Physics,113(10) : 4444-4453 link

Baschnagel, J.; Bennemann, C.; Paul, W.; Binder, K. (2000), Dynamics of a supercooled polymer melt above the mode-coupling critical temperature: cage versus polymer-specific effects,Journal Of Physics-Condensed Matter,12(29) : 6365-6374 link

Baschnagel, J.; Mischler, C.; Binder, K. (2000), Dynamics of confined polymer melts: Recent Monte Carlo simulation results,Journal De Physique Iv,10(P7) : 9-14 link

Varnik, F.; Baschnagel, J.; Binder, K. (2000), Molecular dynamics of supercooled polymer films,Journal De Physique Iv,10(P7) : 239-242 link

Baschnagel, J.; Binder, K.; Doruker, P.; Gusev, A.A.; Hahn, O.; Kremer, K.; Mattice, W.L.; Muller-Plathe, F.; Murat, M.; Paul, W.; Santos, S.; Suter, U.W.; Tries, V. (2000), Bridging the gap between atomistic and coarse-grained models of polymers: Status and perspectives,Advances In Polymer Science: Viscoelasticity, Atomistic Models, Statistical Chemistry,() : 41-156 link

Fall, W.S.; Baschnagel, J.; Lhost, O.; Meyer, H. (), Role of Short Chain Branching in Crystalline Model Polyethylenes,Macromolecules,() : link