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, by theory, MD and Monte simulations, shows that for this isotopic, achiral, equilibrium system the spatial correlations of the stress tensor [L. Klochko et al., J. Chem. Phys. 156, 164505 (2022); J. Wittmer et al., Phys. Rev. E 108, 015002 (2023)] and of the strain tensor [J. Wittmer et al., Soft Matter 19, 6140 (2023)] become long-ranged when elasticity emerges upon cooling to low temperature
    
• 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)]
  • By adapting the experimental technique of “self-seeding” to simulations it is possible to grow unprecedentedly large polymer crystals in simulation and to unveil the crucial role played by chain branching to control the crystalline structure [W. S. Fall et al., ACS Macro Lett. 12, 808 (2023)]
    

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)
2014-2024	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:

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