Institut Charles Sadron
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- Jörg Baschnagel
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)
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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
- 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)
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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
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2005-2021 |
Head of the “Theory and Simulation of Polymers” group (Institut Charles Sadron)
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2008-2021 |
Associate editor of the European Physical Journal E
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2009-2015 |
Member of the scientific advisory board of the Leibniz-Institute for Polymer Research (IPF) at Dresden (Germany)
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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
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2012-2015 |
Deputy member of the “Conseil National des Universités (CNU)” (Section 28)
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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
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2016-2020 |
Member of the steering committee of the CPER AlsaCalcul 2015–2020
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Since 2021 |
Member of the graduate school committee of the Interdisciplinary Thematic Institut (ITI) “HiFunMat"
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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) :
linkReiter, G.; Ramezani, F.; Baschnagel, J. (2022), The memory of thin polymer films generated by spin coating,
European Physical Journal E,45(5) :
linkDemydiuk, 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) :
linkKlochko, 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) :
linkWittmer, 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) :
link2021
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) :
linkKlochko, 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) :
linkGeorge, G.; Klochko, L.; Semenov, A.N.; Baschnagel, J.; Wittmer, J.P. (2021), Fluctuations of non-ergodic stochastic processes,
European Physical Journal E,44(4) :
linkRuscher, 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) :
linkGeorge, 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) :
linkKlochko, 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
link2020
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) :
linkRamezani, F.; Baschnagel, J.; Reiter, G. (2020), Translating molecular relaxations in non-equilibrated polymer melts into lifting macroscopic loads,
Physical Review Materials,4(8) :
link2019
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) :
linkDiddens, D.; Baschnagel, J.; Johner, A. (2019), Microscopic Structure of Compacted Polyelectrolyte Complexes: Insights from Molecular Dynamics Simulations,
Acs Macro Letters,8(2) : 123-127
linkChandran, 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
link2018
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) :
linkKlochko, 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
linkHelfferich, 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) :
linkRuscher, C.; Baschnagel, J.; Farago, J. (2018), Voronoi glass-forming liquids: A structural study,
Physical Review E,97(3) :
linkKriuchevskyi, I.; Wittmer, J.P.; Meyer, H.; Benzerara, O.; Baschnagel, J. (2018), Shear-stress fluctuations and relaxation in polymer glasses,
Physical Review E,97(1) :
link2017
Kriuchevskyi, I.; Wittmer, J.P.; Meyer, H.; Baschnagel, J. (2017), Shear Modulus and Shear-Stress Fluctuations in Polymer Glasses,
Physical Review Letters,119(14) :
linkChapuis, 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) :
linkTanis, 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) :
linkRuscher, C.; Semenov, A.N.; Baschnagel, J.; Farago, J. (2017), Anomalous sound attenuation in Voronoi liquid,
Journal Of Chemical Physics,146(14) :
linkKriuchevskyi, 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) :
linkDolgushev, M.; Wittmer, J.P.; Johner, A.; Benzerara, O.; Meyer, H.; Baschnagel, J. (2017), Marginally compact hyperbranched polymer trees,
Soft Matter,13(13) : 2499-2512
linkDuranty, 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) :
linkMontgomery, 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),() :
link2016
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) :
linkDiddens, 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
linkWittmer, J.P.; Xu, H.; Baschnagel, J. (2016), Simple average expression for shear-stress relaxation modulus,
Physical Review E,93(1) :
linkBaschnagel, 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) :
link2015
Ruscher, C.; Baschnagel, J.; Farago, J. (2015), The Voronoi liquid,
Epl,112(6) :
linkWittmer, 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) :
linkWittmer, 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
linkFrey, 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) :
linkWittmer, J.P.; Xu, H.; Baschnagel, J. (2015), Shear-stress relaxation and ensemble transformation of shear-stress autocorrelation functions,
Physical Review E,91(2) :
linkHelfferich, 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) :
link2014
Farago, J.; Semenov, A.; Frey, S.; Baschnagel, J. (2014), New conserved structural fields for supercooled liquids,
European Physical Journal E,37(6) :
linkHelfferich, 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) :
linkHelfferich, 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) :
linkJohner, 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,() :
linkPolinska, P.; Gillig, C.; Wittmer, J.P.; Baschnagel, J. (2014), Hyperbranched polymer stars with Gaussian chain statistics revisited,
European Physical Journal E,37(2) :
linkObukhov, S.; Johner, A.; Baschnagel, J.; Meyer, H.; Wittmer, J.P. (2014), Melt of polymer rings: The decorated loop model,
Epl,105(4) :
link2013
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
linkWittmer, 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) :
linkWittmer, 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) :
link2012
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) :
linkSchulmann, 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) :
linkFarago, J.; Meyer, H.; Baschnagel, J.; Semenov, A.N. (2012), Hydrodynamic and viscoelastic effects in polymer diffusion,
Journal Of Physics-Condensed Matter,24(28) :
linkFarago, 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) :
linkFarago, 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) :
linkSolar, 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) :
linkSchulmann, 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
link2011
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) :
linkWittmer, 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
linkSolar, 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
linkSchnell, 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) :
linkWittmer, 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) :
linkSpirin, 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) :
linkLee, 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) :
link2010
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
linkSolar, 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) :
linkWittmer, J.P.; Meyer, H.; Johner, A.; Kreer, T.; Baschnagel, J. (2010), Algebraic Displacement Correlation in Two-Dimensional Polymer Melts,
Physical Review Letters,105(3) :
linkDurand, 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) :
linkMeyer, 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) :
linkGaluschko, 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
linkWittmer, 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
linkWittmer, 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
link2009
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) :
linkPeter, 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) :
linkPeter, 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) :
linkMeyer, 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) :
linkPeter, 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
link2008
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
linkPeter, 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
link2007
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) :
linkEurich, F.; Karatchentsev, A.; Baschnagel, J.; Dieterich, W.; Maass, P. (2007), Soft particle model for block copolymers,
Journal Of Chemical Physics,127(13) :
linkHenrich, 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) :
linkWittmer, 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) :
linkPeter, 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) :
linkVettorel, 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) :
linkMeyer, 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
linkWittmer, 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) :
link2006
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
linkBinder, 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
link2005
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
link2004
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
linkAichele, 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) :
linkWittmer, 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) :
link2003
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
linkVarnik, 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
linkMetzger, 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
linkMattioni, 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
linkBaschnagel, 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
linkBinder, 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
linkAichele, 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
link2002
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
linkKamath, 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
linkVarnik, 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) :
linkMetzger, 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) : 985-995
3.0.CO;2-U> linkEurich, F.; Maass, P.; Baschnagel, J. (2002), Gaussian ellipsoid model for confined polymer systems,
Journal Of Chemical Physics,117(9) : 4564-4577
linkVarnik, F.; Baschnagel, J.; Binder, K. (2002), Glassy dynamics in thin polymer films: recent MD results,
Journal Of Non-Crystalline Solids,307() : 524-531
linkVarnik, 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
linkVarnik, F.; Baschnagel, J.; Binder, K. (2002), Static and dynamic properties of supercooled thin polymer films,
European Physical Journal E,8(2) : 175-192
link2001
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
linkKreer, 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
linkAichele, 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
linkAichele, 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
link2000
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
linkBaschnagel, 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
linkBaschnagel, J.; Mischler, C.; Binder, K. (2000), Dynamics of confined polymer melts: Recent Monte Carlo simulation results,
Journal De Physique Iv,10(P7) : 9-14
linkVarnik, F.; Baschnagel, J.; Binder, K. (2000), Molecular dynamics of supercooled polymer films,
Journal De Physique Iv,10(P7) : 239-242
linkBaschnagel, 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
linkFall, W.S.; Baschnagel, J.; Lhost, O.; Meyer, H. (), Role of Short Chain Branching in Crystalline Model Polyethylenes,
Macromolecules,() :
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