3. Navigationsebene – People

Habilitation, PhD and Master Thesis

• Molekulare Knoten – Computersimulationen zu Selbstverschlaufungen in Polymeren, DNA und Proteinen

Habilitationsschrift (2016), Institut für Physik, Johannes Gutenberg-Universität Mainz.

• Monte-Carlo-Simulationen zum Phasen- und Keimbildungsverhalten von Polymerlösungen

Dissertation (2003), Institut für Physik, Johannes Gutenberg-Universität Mainz.

• Development of a Magneto-Optical Kerr Probe for Thin Film Characterization

Master thesis (1999), Department of Physics, Louisiana State University, Baton Rouge, USA.

Editorial activities

E2.  Heterogeneous nucleation and microstructure formation: Steps towards a system and scale
bridging understanding
H. Emmerich, P. Virnau, G. Wilde, R. Spatschek (eds)
Physical Journal – Special Topics, volume 223 (2014).

E1.  Computer Simulations on Graphics Processing Units
M. Weigel, A. Arnold, P. Virnau (eds)
European Physical Journal – Special Topics, volume 210 (2012).

Peer-reviewed publications

94.  Free energy barriers for crystal nucleation from fluid phases
       P. Koss, A. Statt, P. Virnau, K. Binder
       Phys. Rev. E. 96, 042609 (2017)

93.  Are there knots in chromosomes?
       J.Siebert, A. Kivel, L. Atkinson, T. Stevens, E. Laue, P. Virnau
       Polymers 9, 317 (2017).

92.  Estimation of the critical behaviour in an active colloidal system with Vicsek-like interactions
       B. Trefz, J. Siebert, T. Speck, K. Binder, P. Virnau
       Chem. Phys. 146, 074901 (2017).

91.  Phase behaviour of active Brownian disks, spheres and dimers
       J. Siebert, J. Letz, T. Speck, P. Virnau
       Soft Matter 13, 1020 (2017).

90.  Entropic Interactions between two knots on a semiflexible polymer
       D. Richard, S. Stalter, J. Siebert, F. Rieger, B. Trefz, P. Virnau
       Polymers 9, 55 (2017).

89.  Monte Carlo study of knots in long double-stranded DNA chains
       F. Rieger, P. Virnau
       PLoS Comp. Biol. 12, e1005029 (2016).

88.  Overview: Understanding nucleation phenomena from simulations of lattice gas models
       K. Binder, P. Virnau
       Chem. Phys. 145, 211701 (2016).

87.  Semiflexible polymers under good solvent conditions interacting with repulsive walls
       S.A. Egorov, A. Milchev, P. Virnau, K. Binder
       J. Chem. Phys. 144, 174902 (2016).

86.  Knots in finite memory walks
       E. Horwath, N. Clisby, P. Virnau
       Phys.: Conf. Ser. 750, 012010 (2016).

85.  The ensemble switch method and related approaches to obtain interfacial free energies
        between coexisting phases from simulations: a brief review
        P. Virnau, F. Schmitz, K. Binder
        Molecular Simulation 42 SI, 549 (2016).

84.  Activity mediated phase separation: Can we understand phase behaviour of the nonequilibrium
       problem from an equilibrium approach
       B. Trefz, S.K. Das, S.A. Egorov, P. Virnau, K. Binder
       Chem. Phys. 114, 144902 (2016).

83.  A new insight into the isotropic-nematic phase transition in lyotropic solutions of semiflexible
       polymers: density-functional theory tested by molecular dynamics
S.A. Egorov, A. Milchev, P. Virnau, K. Binder

      Soft Matter 12, 4944 (2016).

82.   Crystal nuclei in melts: a Monte Carlo simulation of a model for attractive colloids
        A. Statt, P. Virnau, K. Binder
        Mol. Phys. 113, 2556 (2015).

81.  Scaling behaviour of topologically constrained polymer rings in a melt
        B. Trefz, P. Virnau
        Phys.: Condens. Matter 27, 354110 (2015).

80.  The ensemble switch method for computing interfacial tensions
        F. Schmitz, P. Virnau
Chem. Phys. 142, 144108 (2015).

79.  Finite-size effects on liquid-solid phase coexistence and the estimation of crystal
nucleation barriers
       A. Statt, P. Virnau, K. Binder
       Phys. Rev. Lett. 114, 026101 (2015).

78.  Sequence determines degree of knottedness in a coarse-grained protein model
       Wüst, D. Reith, P. Virnau
       Phys. Rev. Lett. 114, 028102 (2015).
       Chosen as Editor’s suggestion.

77.  Anisotropic interfacial tension, contact angles, and line tensions: A graphics-processing-unit-
based Monte Carlo study of the Ising model
       B.J. Block, S. Kim, P. Virnau, K. Binder
       Phys. Rev. E 90, 062106 (2014).

76.  Perspective: The Asakura Oosawa model: A colloid prototype for bulk and interfacial
phase behaviour
       K. Binder, P. Virnau, A. Statt
Chem. Phys. 141, 140901 (2014).

75.  Logarithmic finite-size effects on interfacial free energies: Phenomenological theory
and Monte Carlo studies
       F. Schmitz, P. Virnau, K. Binder
       Phys. Rev. E 90, 012128 (2014).

74.   Determination of origin and magnitude of logarithmic finite-size effects on interfacial tension:
role of interfacial fluctuations and domain breathing (erratum)
        F. Schmitz, P. Virnau, K. Binder
        Phys. Rev. Lett. 112, 239902 (2014).

73.   How molecular knots can pass through each other
        B. Trefz, J. Siebert, P. Virnau
        Proc. Nat. Acad. Sci: USA 111, 7948 (2014).

72.   Phase behaviour of active swimmers in depletants: Molecular dynamics and integral
        equation theory
        S.K. Das, S. Egorov, B. Trefz, P. Virnau, K. Binder
        Phys. Rev. Lett. 112, 198301 (2014).

71.  Determination of the origin and magnitude of logarithmic finite-size effects on interfacial tension:
role of interfacial fluctuations and domain breathing
       F. Schmitz, P. Virnau, K. Binder
       Phys. Rev. Lett. 112, 125701 (2014).

70.  Computer simulation of heterogeneous nucleation of colloidal crystals at planar walls
       B.J. Block, D. Deb, F. Schmitz, A. Statt, A. Tröster, A. Winkler, T. Zykova-Timan, P. Virnau, K. Binder
       EPJ-ST 223, 347 (2014).

69.  Structure formation of polymeric building blocks: complex polymer architectures
       K. Binder, H.-J. Butt, G. Floudas et al.
       Adv. Poly. Sci. 260, 115-210 (2014).

68.  Polymer dynamics in polymer-solid in a polymer-solid interphase: Molecular dynamics
simulations  of  1,4-polybutadien at a graphite surface
       M. Solar, L. Yelash, P. Virnau, K. Binder, W. Paul
Soft Mater. 12, S80-S89 (2014).

67.  Stick-slip motion and plastic flow of a two-dimensional colloidal crystal confined to moving
corrugated rigid boundaries
       D. Wilms, P. Virnau, K. Binder
Mol. Phys. 111, 22 (2013).

66.  Computer simulations of structure, dynamics, and phase behaviour of colloidal
fluids in confined geometry and under shear
       A.Winkler, D. Winter, P. Chaudhuri, A. Statt, P. Virnau, J. Horbach, K. Binder
       EPJ-ST 222, 2787 (2013).

65.  Effects of boundaries on structure formation in low-dimensional colloid model
systems near the liquid-solid-transition in equilibrium and in external fields and under shear
       Deutschländer, K. Franzrahe, B. Heinze et al.
       EPJ-ST 222, 2973 (2013).

64.  Monte Carlo tests of nucleation concepts in the lattice gas model
       F. Schmitz, P. Virnau, K. Binder
       Phys. Rev. E 87, 053302 (2013).

63.  Influence of chain stiffness on knottedness in single polymers
       P. Virnau, F. Rieger, D. Reith
       Biochem. Soc. Trans. 41, 528 (2013).

62.  Phase transitions and phase equilibria in spherical confinement
       A.Winkler, A. Statt, P. Virnau, K. Binder
       Phys. Rev. E 87, 032307 (2013).

61.  Hydrodynamic mechanisms of spinodal decomposition in confined colloid-polymer mixtures:
Amultiparticle collision dynamics study /strong>      A. Winkler, P. Virnau, K. Binder, R.G. Winkler, G. Gompper
Chem. Phys. 138, 054901 (2013).

60. Beyond the van der Waals loop: What can be learned from simulating Lennard-Jones fluids inside
the region of phase coexistence
      K. Binder, B.J. Block, P. Virnau, A. Tröster
Am. J. Phys. 80, 1099 (2012).

59.  Motion, relaxation dynamics and diffusion processes in two-dimensional colloidal crystals
confined between walls
   D. Wilms, P. Virnau, I.K. Snook, K. Binder
Phys. Rev. E 86, 051404 (2012).

58. Controlling the wetting properties of the Asakura-Oosawa model and applications to spherical
confinement
      A. Statt, A. Winkler, P. Virnau, K. Binder
Phys. Condens. Matter 24, 464122 (2012).

57.    Effects of confinement and external fields on structure and transport
in colloidal dispersions in reduced dimensionality
 D. Wilms, S. Deutschländer, U. Siems, K. Franzrahe, P. Henseler, P. Keim, N. Schwierz, P. Virnau,
K. Binder, G. Maret, P. Nielaba
Phys. Condens. Matter 24, 464119 (2012).

56. Confinement-induced screening of hydrodynamic interactions and spinodal decomposition:
Multiscale simulations of colloid-polymer mixtures
      A. Winkler, P. Virnau, K. Binder, R.G. Winkler, G. Gompper
EPL 100, 46003 (2012).

55. Accelerated GPU simulation of compressible flow by discontinuous evolution garlerkin method
      B.J. Block, M. Lukacova-Medvidova, P. Virnau, L. Yelash
EPJ ST 210, 119 (2012).

54. Methods to compute pressure and wall tension in fluids containing hard particles
      D. Deb, D. Wilms, A. Winkler, P. Virnau, K. Binder
Int. J. Mod. Phys. C 23, 1240011 (2012).

53.  Langevin dynamics simulations of a two-dimensional colloidal crystal under
confinement and shear
      D. Wilms, P. Virnau, S. Sengupta, K. Binder
Phys. Rev. E 85, 061406 (2012).

52. Effective stiffening of DNA due to nematic ordering causes DNA molecules
packed in phage  capsids to preferentially form torus knots
D.Reith, P. Cifra, A. Stasiak, P. Virnau
Nucl. Acids. Res. 40, 5129 (2012).

51. Computer simulation studies of chain dynamics in polymer brushes
      D. Reith, A. Milchev, P. Virnau, K. Binder
Macromolecules 45, 4381 (2012).

50. Three-step decay of time correlations at polymer-solid interfaces
      L. Yelash, P. Virnau, K. Binder, W. Paul
EPL 98, 28006 (2012).

49. Spinodal decomposition of polymer solutions: molecular dynamics simulations
of the two-dimensional case
      D. Reith, K. Bucior, L. Yelash, P. Virnau, K. Binder
Phys. Condens. Matter 24, 115102 (2012).

48.  Numerical approaches to determine the interface tension of curved interfaces
from free energy calculations
       A. Troester, M. Oettel, B. Block, P. Virnau, K. Binder
Chem. Phys. 136, 064709 (2012).47

 47. Active non-linear micro-rheology in a glass-forming Yukawa fluid
       D. Winter, J. Horbach, P. Virnau, K. Binder
Phys. Rev. Lett. 108, 028303 (2012).

 46. Structures and folding pathways of topologically knotted proteins
       P. Virnau, A. Mallam, S. Jackson
       Topical Review in J. Phys. Condens. Matter 23, 033101 (2011).

45. Computer simulations and coarse-grained molecular models predicting
the equation of state of polymer solutions
      K. Binder, B. Mognetti, W. Paul, P. Virnau, L. Yelash
Adv. Polym. Sci. 238, 329 (2011).

44. GPU based molecular dynamics simulations of polymer rings in concentrated solution:
structure and scaling
      D. Reith, L.A. Mirny, P. Virnau
Prog. Theor. Phys. Supp. 191, 135 (2011).

43. Anomalous structure and scaling of ring polymer brushes
      D. Reith, A. Milchev, P. Virnau, K. Binder
EPL 95, 28003 (2011)..  

42. Spurious character of singularities associated with phase transitions in cylindrical pores
      K. Binder, P. Virnau, D. Wilms, A. Winkler
Eur. Phys. J – Spec Top 197, 227 (2011).

41. Hard sphere fluids confined between soft repulsive walls: A comparative study using Monte Carlo

and density functional methods
D. Deb, A. Winkler, M.H. Yamani, M. Oettel, P. Virnau, K. Binder
Chem. Phys. 134, 214706 (2011).

40. Monte Carlo simulations of a single polystyrene chain in spherical confinement
      D. Reith, P. Virnau
Comp. Phys. Commun. 182, 1945 (2011)

39. Monte Carlo simulations of the 2d-Ising model in the geometry of a long stripe
      D. Wilms, A. Winkler, P. Virnau, K. Binder
Comp. Phys. Commun. 182, 1892 (2011).

38.  Confined binary two-dimensional colloidal crystals: Monte Carlo simulation of crack formation
       Medina, P. Virnau, K. Binder
Phys. Condens. Matter 23, 035105 (2011).

37.  Molecular simulation of polymer blends and melts: Methods, phase behaviour, interfaces
and and surfaces
       P. Virnau, K. Binder, H. Heinz, T. Kreer, M. Müller  Vol. 1, 1 in Encyclopedia of Polymer Blends,
A.I. Isayev (ed.), Wiley-VCH, Weinheim (2010).

36.  Rounding of phase transitions in cylindrical pores
       D. Wilms, A. Winkler, P. Virnau, K. Binder
Phys. Rev. Lett. 105, 045701 (2010).

35.  Curvature dependence of surface free energy of liquid drops and bubbles: A simulation study
        B.J. Block, S.K. Das, M. Oettel, P. Virnau, K. Binder
Chem. Phys. 133, 154702 (2010), als Research Highlight ausgezeichnet.

34. Capillary condensation in cylindrical pores: Monte Carlo study of the interplay of surface
and finite size effects
      A. Winkler, D. Wilms, P. Virnau, K. Binder
Chem. Phys. 133, 164702 (2010).

33. Finite-size scaling analysis of the anisotropic critical behavior of the two-dimensional
Ising model under shear
      D. Winter, P. Virnau, J. Horbach, K. Binder
EPL 91, 60002 (2010).

32. A slow process in confined polymer melts: layer exchange dynamics at a polymer solid interface
      Yelash, P. Virnau, K. Binder, W. Paul,
Phys. Rev. E 82, 050801 (2010)

31. Multi-GPU Accelerated Monte Carlo Simulation of the 2D Ising Model
      B.J. Block, P. Virnau, T. Preis
Comp. Phys. Commun. 181, 1549 (2010).

30.  A Stevedore’s protein knot
       Bölinger, J. Sulkowska, H.-P. Hsu, L. Mirny, M. Kardar, J.Onuchic, P. Virnau
PLoS Comp. Biol. 6, e1000731 (2010).

29.  Conformational properties of polymer mushrooms under spherical and cylindrical confinement
Wang, P. Virnau, K. Binder
Macromolecular Theory and Simulations 19, 258 (2010).

28. A combined molecular dynamics and Monte Carlo study of the approach towards phase
 separation in colloid-polymer mixtures
      Zausch, J. Horbach, P. Virnau, K. Binder
Phys. Condens. Matter 22, 104120 (2010).27. 

27. Implementation and performance analysis of bridging Monte Carlo moves for off-lattice single
chain polymers in globular states
      D. Reith, P. Virnau
Comp. Phys. Commun. 181, 800 (2010) 

26.  Monte Carlo test of the classical theory for heterogeneous nucleation barriers
       A. Winter, P. Virnau, K. Binder
Phys. Rev. Lett. 103, 225703 (2009).

25.  Methods to extract interfacial free energies of flat and curved interfaces from computer
simulations
       P. Schrader, P. Virnau, D. Winter, T, Zykova-Timan, K. Binder
Eur. Phys. J. – Spec. Top. 177, 103 (2009).

24. Heterogeneous nucleation at a wall near a wetting transition:
Monte Carlo test of the classical theory
      A. Winter, P. Virnau, K. Binder
Phys. Condens. Matter 21, 464118 (2009).

23. Accelerated fluctuation analysis by graphic cards and complex pattern formation in Econophysics
      T. Preis, P. Virnau, W. Paul, J.J. Schneider
New J. Phys. 11, 093024 (2009).

22. GPU accelerated Monte Carlo simulation of the 2D and 3D Ising model
      T. Preis, P. Virnau, W. Paul, J.J. Schneider
Comp. Phys. 228, 4468 (2009).

21. Simulation of vapor-liquid coexistence in finite volumes: A method to compute the surface free
energy of droplets
      Schrader, P. Virnau, K. Binder
Phys. Rev. E 79, 061104 (2009).

20. Coarse-graining dipolar interactions in simple fluids and polymer solutions:
Monte Carlo studies of the phase behavior
      B.M. Mognetti, P. Virnau, L. Yelash, K. Binder
Phys. Chem. Chem. Phys. 11, 1923 (2009).

19. Statics and dynamics of colloid polymer mixtures near their critical point of
      Phase separation: a computer simulation study
      J. Zausch, P. Virnau, J. Horbach, K. Binder
Chem. Phys. 130, 064906 (2009)

18.  >Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo
studies of their phase behavior with perturbation theory and experiment
       B.M. Mognetti, P. Virnau, L. Yelash, W. Paul, K. Binder, M. Müller, L.G. MacDowell
Chem. Phys. 130, 044101 (2009).

17. Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide
      B.M. Mognetti, M. Oettel, P. Virnau, L. Yelash, K. Binder
Mol. Phys. 107, 331 (2009).

16. From atomistic modeling of macromolecules towards equations of state for polymer solutions and
melts: How important is the accurate description of the local structure?
      K. Binder, W. Paul, P. Virnau, L. Yelash, M. Müller, L.G. MacDowell
Chapter 26, 399 in Coarse-Graining of Condensed Phase and Biomolecular Systems, G.A.
     Voth (ed.),
CRC Press, Boca Raton, FL (2008).

15. Decomposition of polymer solutions: A parallelized molecular dynamics simulation
      L. Yelash, P. Virnau, W. Paul, K. Binder
Phys. Rev. E 78, 031801 (2008). 

14. Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-
grained model: The case of carbon dioxide
      B.M. Mognetti, L. Yelash, P. Virnau, W. Paul, K.Binder, M. Müller, L.G. MacDowell
Chem. Phys. 128, 104501 (2008).

13. Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation
of a coarse-grained model: The case of carbon dioxide
      B.M. Mognetti, L. Yelash, P. Virnau, W. Paul, K.Binder, M. Müller, L.G. MacDowell
      Chem. Phys. 128, 104501 (2008).

12.  Spherically averaged versus angle-dependent interactions in quadrupolar fluids
       B.M. Mognetti, M. Oettel, L. Yelash, L, P. Virnau, W. Paul, K. Binder
Phys. Rev. E 77, 041506 (2008).

11.  Protein knot server: detection of knots in protein structures
       Kolesov, P. Virnau, L.A. Mirny, M. Kardar
Nucl. Acids Res. 35, W425 (2007).

10. Intricate knots in proteins: function and evolution
      P. Virnau, L.A. Mirny, M. Kardar
PLoS Comp. Biol. 2, e122 (2006).

 9. Capturing knots in polymers
     Eingeladener Beitrag anlässlich eines bei der APS-Frühjahrstagung in Los Angeles 2005 an mich
verliehenen Posterpreises
     P. Virnau, M. Kardar, Y. Kantor
Chaos 15, 041103 (2005).

 8. Polymer+solvent systems: phase diagrams, interface free energies, and nucleation
     K. Binder, M. Müller, P. Virnau, L.G. MacDowell
Adv. Polym. Sci. 173, 1 (2005).

 7. Calculation of free energy through successive umbrella sampling
 P. Virnau, M. Müller
Chem. Phys. 120, 10925 (2004).

 6. Phase behavior of n-alkanes in supercritical solution
     P. Virnau, M. Müller, L.G. MacDowell, K. Binder
Chem. Phys. 121, 2169 (2004).

 5. Phase separation kinetics in compressible polymer solutions: computer simulation
of the early stages
     P. Virnau, M. Müller, L.G. MacDowell, K. Binder
New J. Phys. 6, 7 (2004).

 4. The evaporation/condensation transition of liquid droplets
     L.G. MacDowell, P.Virnau, M. Müller, K. Binder
Chem. Phys. 120, 5293 (2004).

3. Phase diagrams of hexadecane-CO₂ mixtures from histogram-reweighting Monte Carlo
    P. Virnau, M. Müller, L.G. MacDowell, K. Binder
Comp. Phys. Commun. 147, 378 (2002).

2. Critical lines and phase coexistence of polymer solutions: A quantitative comparison between
Wertheim’s thermodynamic perturbation theory and computer simulations
    L.G. MacDowell, P. Virnau, M. Müller, K. Binder
Chem. Phys. 117, 6360 (2002).

 1. Interface properties and bubble nucleation in compressible mixtures containing polymers
    M. Müller, L.G. MacDowell, P. Virnau, and K. Binder
Chem. Phys. 117, 5480 (2002).

Tagungsberichte (ohne Begutachtung) und sonstige Veröffentlichungen

P22.   Reduced-order hybrid multiscale method combining the Molecular Dynamics
            and the Discontinous-Galerkin method
            Emamy, M. Lukáčová-Medviďová, S. Stalter, P. Virnau, L. Yelash
VII Int. Conf. Comput. Methods Coupled Problems in Science and Engineering, 
Coupled Problems 2017, 62-76
Eds.: Papadrakakis et al., (2017).

P21.   Molecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls and caveats
S. Stalter, L. Yelash, N. Emamy, A. Statt, M. Hanke, M. Lukáčová-Medviďová, P. Virnau
Comp. Phys. Commun. 224, 198-208 (2017).

P20.   Estimation of nucleation barriers from simulations of crystal nuclei surrounded
by fluid in quilibrium           A. Statt, P. Koß, P. Virnau, K. Binder
W.E. Nagel et al (eds.) High Performance Computing in Science and Engineering ’16, (2016).

P19.  Monte Carlo simulation of crystal-liquid phase coexistence
         A. Statt, F. Schmitz, P. Virnau, K. Binder
W.E. Nagel et al (eds.) High Performance Computing in Science and Engineering ’15, 75 (2015).

P18.  Investigation of finite-size effects in the determination of interfacial tensions
         F. Schmitz, A. Statt, P. Virnau, K. Binder
W.E. Nagel et al. (eds.) High Performance Computing in Science and Engineering ’14, 5,
Springer-Verlag (2014).

P17. Nonlinear response of single particles in glassforming fluids to external forces
         K.  Binder, J. Horbach, P. Virnau, D. Winter
Innovatives Supercomputing in Deutschland (inSiDE) 12, 49 (2014).

P16.  Phase separation in colloid polymer mixtures under confinement
          A. Statt, A. Winkler, P. Virnau, K. Binder
W.E. Nagel et al. (eds.) High Performance Computing in Science and Engineering ’13, 19,
Springer-Verlag (2013

P15. Phase separation in colloidal suspensions by collective growth of domains
         A.Winkler, P. Virnau, K. Binder, R.G. Winkler, G. Gompper
Innovatives Supercomputing in Deutschland (inSiDE) 11, 30 (2013).

P14.  Spinodal decomposition kinetics of colloid-polymer mixtures including
hydrodynamic interactions
         A.Winkler, P. Virnau, K. Binder
W.E. Nagel et al. (eds.) High Performance Computing in Science and Engineering ’12, 29,
Springer-Verlag (2012).

P13.  Structure and dynamics at polymer-solid interfaces: a molecular dynamics simulations of
1,4-polybutadiene at graphite
          Paul, L. Yelash, P. Virnau, K. Binder, K. Binder, G. Münster, M. Kremer (eds.)
NIC Symposium 2012 Proceedings, 285 (2012).

P12.  Monte Carlo simulation studies of interfacial free energies in colloidal suspensions
         D. Deb, D. Wilms, A. Winkler, P. Virnau, K. Binder
K. Binder, G. Münster, M. Kremer (eds.)
NIC Symposium 2012 Proceedings, 235 (2012).

P11.  Coil-globule transition and knottedness in homo- and heteropolymers
         Bölinger, Hsiao-Ping Hsu, Peter Virnau
Bussei-Kenkyu 92-1, 62 (2009).

P10.  Towards the quantitative prediction of the phase behavior of polymer solutions by computer
simulation
          K. Binder,B.M. Mognetti,L.G. MacDowell,M. Oettel, W. Paul,P. Virnau, L. Yelash
Macromolecular Symposia 278, 1 (2009).

P9.   Simulationen auf Grafikkarten: vom Videospiel zur Materialforschung
         Forschungsmagazin der Uni Mainz
         Oettel, P. Virnau
Natur und Geist 2/2009, 8 (2009).

P8.   Knots in Macromolecular Systems: concepts and challenges
        P.  Virnau
NIC Series Volume 34: From Computational Biophysics to Systems Biology, 287,
U.H.E. Hansmann, J. Meinke, S. Mohanty, O. Zimmermann (eds), (2007). 

P7.  A successive umbrella sampling algorithm to sample and overcome free energy barriers
       P. Virnau, M. Müller
Computer simulation studies in Condensed Matter Physics XVII, 151
D.P. Landau, S.P. Lewis, H.B. Schüttler (eds.), Springer-Verlag (2006).

strong>P6.  El intrigante lazo de Van der Waals
        Von L.G. MacDowell geschriebener Beitrag im Journal der spanischen chemischen Gesellschaft
         L.G. MacDowell, P. Virnau
An. Quim. 101, 19 (2005).

P5. Simulation of transport in partially miscible binary fluids: Combination of Semigrandcanonical
Monte Carlo and Molecular Dynamics Methods
        K. Binder, S.K. Das, J. Horbach, M. Müller, R. Vink, P. Virnau
Multiscale Modelling and Simulation, S. Attinger, P. Koumoutsakos (eds.), Springer-Verlag (2004).

P4. The droplet evaporation/condensation transition in a finite volume
       P. Virnau, L.G. MacDowell, M. Müller, K. Binder
Computer Simulation Studies in Condensed Matter Physics XVI, 129
D.P. Landau, S.P. Lewis, H.B. Schüttler (eds.), Springer-Verlag (2003).

P3.  How do droplets depend on the system size? Droplet condensation and nucleation in small
simulation cells
       P. Virnau, L.G. MacDowell, M. Müller, K. Binder
High Performance Computing in Science and Engineering ‘04, 125
Krause, W. Jäger, M. Resch (eds.), Springer-Verlag (2003).

P2.  Reduced-order hybrid multiscale method combining the Molecular Dynamics  <br<
and the Discontinous-Galerkin method
       Emamy, M. Lukáčová-Medviďová, S. Stalter, P. Virnau, L. Yelash
VII Int. Conf. Comput. Methods Coupled Problems in Science and Engineering,
Coupled Problems 2017, 62-76
Eds.: Papadrakakis et al., (2017).

P1.  Molecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls
and caveats
S. Stalter, L. Yelash, N. Emamy, A. Statt, M. Hanke, M. Lukáčová-Medviďová,
P. Virnau
Comp. Phys. Commun. 224, 198-208 (2017).

Interfaces: structure, reactivity, spectroscopy

Liquid-solid interfaces are ubiquitous and responsible for a number of phenomena encountered in biological, chemical and physical processes. Surface-induced changes of material properties are not only important for the solid support but also for the liquid itself. The complex chemistry at solid-liquid interfaces is fundamental to heterogeneous catalysis and electrochemistry and has become especially topical in connection with the search for new materials for energy production. The interactions at solid/liquid interface control crystallization and shape selective crystal growth. This is fundamental for example to the synthesis of nanoparticles with specific tailored shape/size. In life science, the most important solid-liquid interfaces are the cell-membrane / water interfaces. Phenomena occurring at the surface of phospholipid bilayers control the docking of proteins, the transmission of signals as well as transport of molecules in and out of the cell. More recently the development of bio-compatible materials has lead to research on the interface between bio-compatible material and lipid/proteins in aqueous solution.

Education

Academic Career

Academic and Editorial Services

Peer reviewed

preprints

109. Exploiting compositional disorder in collectives of light-driven circle walkers

     F. Siebers, A. Jayaram, P. Blümler, and T. Speck, submitted
108. Structure formation of C60 on insulating CaF2 substrates: Matching experiments with simulations

     W. Janke, L. Höltkemeier, A. Kühnle, and T. Speck, submitted
107. Synthetic antibody-derived immunopeptide provides neuroprotection in glaucoma through molecular interaction with retinal protein Histone H3.1

     K. Nzogang Fomo, C. Schmelter, J. Atta, V.M. Beutgen, R. Schwarz, N. Perumal, G. Govind, T. Speck, N. Pfeiffer, and F.H. Grus, submitted

2022

106. Employing artificial neural networks to identify reaction coordinates and pathways for self-assembly

     J. Appeldorn, S. Lemcke, T. Speck, and A. Nikoubashman, J. Phys. Chem. B 126, 5007 (2022)

     [abstract]
105. Response to "Comment on 'Communication: Is directed percolation in colloid-polymer mixtures linked to dynamic arrest?' " [J. Chem. Phys. 148, 241101 (2018)]

     D. Richard, C.P. Royall, and T. Speck, J. Chem. Phys. 157, 027102 (2022)

     [abstract]
104. Critical behavior of active Brownian particles: Connection to field theories

     T. Speck, Phys. Rev. E 105, 064601 (2022)

     [abstract] [arXiv]
103. Force generation in confined active fluids: The role of microstructure

     S. Paul, A. Jayaram, N. Narinder, T. Speck, and C. Bechinger, Phys. Rev. Lett. 129, 058001 (2022)

     [abstract] [arXiv]

     • Editors' Suggestion with a viewpoint by S. Thutupalli
102. Efficiency of isothermal active matter engines: Strong driving beats weak driving

     T. Speck, Phys. Rev. E 105, L012601 (2022)

     [abstract] [arXiv]
101. Predicting the Supramolecular Assembly of Amphiphilic Peptides from Comprehensive Coarse-Grained Simulations

     S. Chakraborty, C.M. Berac, M. Urschbach, D. Spitzer, M. Mezger, P. Besenius, and T. Speck, ACS Appl. Polym. Mater. (2022)

     [abstract]

2021

100. Modeling of biomolecular machines in non-equilibrium steady states

     T. Speck, J. Chem. Phys. 155, 230901 (2021)

     [abstract] [arXiv]
99. Hunting active Brownian particles: Learning optimal behavior

    M. Gerhard, A. Jayaram, A. Fischer, and T. Speck, Phys. Rev. E 104, 054614 (2021)

    [abstract] [arXiv]
98. Modeling non-linear dielectric susceptibilities of supercooled molecular liquids

    T. Speck, J. Chem. Phys. 155, 014506 (2021)

    [abstract] [arXiv]

    • selected as Editor's Pick
97. Mobilization upon Cooling

    S. Aeschlimann, L. Lyu, S. Becker, S. Mousavion, T. Speck, H.-J. Elmers, B. Stadtmüller, M. Aeschlimann, R. Bechstein, and A. Kühnle, Angew. Chem. Int. Ed. (2021)

    [abstract]

    • Back cover of Angewandte
    • Press release (in German)
96. Multiscale modelling of structure formation of C60 on insulating CaF2 substrates

    W. Janke and T. Speck, J. Chem. Phys. 154, 234701 (2021)

    [abstract] [arXiv]

    • Front cover of JCP
95. High-order simulation scheme for active particles driven by stress boundary conditions

    B. Deußen, A. Jayaram, F. Kummer, Y. Wang, T. Speck, and M. Oberlack, J. Phys. Condens. Matter 33, 244004 (2021)

    [abstract]
94. Tip-induced mobilization upon cooling of Ni monolayers on Re(0001)

    J. Regel, T. Mashoff, T. Speck, and H. J. Elmers, Phys. Rev. B 103, 134114 (2021)

    [abstract]
93. Critical behaviour in active lattice models of motility-induced phase separation

    F. Dittrich, T. Speck, and P. Virnau, Eur. J. Phys. E 44, 53 (2021)

    [abstract] [arXiv]
92. Vorticity Determines the Force on Bodies Immersed in Active Suspensions

    T. Speck and A. Jayaram, Phys. Rev. Lett. 126, 138002 (2021)

    [abstract] [arXiv]
91. Coexistence of active Brownian disks: van der Waals theory and analytical results

    T. Speck, Phys. Rev. E 103, 012607 (2021)

    [abstract] [arXiv]

2020

90. Dynamical phase transitions and their relation to structural and thermodynamic aspects of glass physics

    C.P. Royall, F. Turci, and T. Speck, J. Chem. Phys. 153, 090901 (2020)

    [abstract] [arXiv]
89. Modeling epitaxial film growth of C60 revisited

    W. Janke and T. Speck, Phys. Rev. B 101, 125427 (2020)

    [abstract] [arXiv]
88. Collective forces in scalar active matter

    T. Speck, Soft Matter 16, 2652 (2020)

    [abstract] [arXiv]
87. The 2020 motile active matter roadmap

    G. Gompper et al., J. Phys.: Condens. Matter 32, 193001 (2020)

    [abstract] [arXiv]
86. From scalar to polar active matter: Connecting simulations with mean-field theory

    A. Jayaram, A. Fischer, and T. Speck, Phys. Rev. E 101, 022602 (2020)

    [abstract] [arXiv]
85. Quorum-sensing active particles with discontinuous motility

    A. Fischer, F. Schmid, and T. Speck, Phys. Rev. E 101, 012601 (2020)

    [abstract] [arXiv]

    • Erratum Phys. Rev. E 102, 059903 (2020)
84. Dynamical coexistence in moderately polydisperse hard-sphere glasses

    M. Campo and T. Speck, J. Chem. Phys. 152, 014501 (2020)

    [abstract] [arXiv]

2019

83. Modeling Supramolecular Polymerization: The Role of Steric and Hydrophobic Interactions

    S. Chakraborty, C.M. Berac, B. Kemper, P. Besenius, and T. Speck, Macromolecules 52, 7661-7667 (2019)

    [abstract]
82. Dynamic facilitation theory: A statistical mechanics approach to dynamic arrest

    T. Speck, J. Stat. Mech. 084015 (2019)

    [abstract] [arXiv]

    • Special issue: Unifying Concepts in Glass Physics VII
81. Devitrification of the Kob-Andersen glass former: Competition with the locally favored structure

    F. Turci, C.P. Royall, and T. Speck, J. Phys.: Conf. Ser. 1252, 012012 (2019)

    [abstract] [arXiv]
80. Thermodynamic approach to the self-diffusiophoresis of colloidal Janus particles

    T. Speck, Phys. Rev. E 99 060602(R) (2019)

    [abstract] [arXiv]
79. Classical nucleation theory for the crystallization kinetics in sheared liquids

    D. Richard and T. Speck, Phys. Rev. E 99, 062801 (2019)

    [abstract] [arXiv]
78. Spontaneous Spatiotemporal Ordering of Shape Oscillations Enhances Cell Migration

    M. Campo, S.K. Schnyder, J.J. Molina, T. Speck, and R. Yamamoto, Soft Matter 15, 4939 (2019)

    [abstract] [arXiv]
77. Aggregation and sedimentation of active Brownian particles at constant affinity

    A. Fischer, A. Chatterjee, and T. Speck, J. Chem. Phys. 150, 064910 (2019)

    [abstract] [arXiv]

    • Special topic: Chemical Physics of Active Matter
76. Non-equilibrium Markov state modeling of periodically driven biomolecules

    F. Knoch and T. Speck, J. Chem. Phys. 150, 054103 (2019)

    [abstract] [arXiv]

2018

75. Dynamics of Binary Active Clusters Driven by Ion-Exchange Particles

    R. Niu, A. Fischer, T. Palberg, and T. Speck, ACS Nano 12, 10932 (2018)

    [abstract]
74. Critical behavior of active Brownian particles

    J.T. Siebert, F. Dittrich, F. Schmid, K. Binder, T. Speck, and P. Virnau, Phys. Rev. E 98, 030601(R) (2018)

    [abstract] [arXiv]
73. Active Brownian particles driven by constant affinity

    T. Speck, EPL 123, 20007 (2018)

    [abstract] [arXiv]
72. Self-organization of active particles by quorum sensing rules

    T. Bäuerle, A. Fischer, T. Speck, and C. Bechinger, Nat. Commun. 9, 3232 (2018)

    [abstract]

    • uni'kon (in German)
71. Highly controlled optical transport of cold atoms into a hollow-core fiber

    M. Langbecker, R. Wirtz, F. Knoch, M. Noaman, T. Speck, and P. Windpassinger, New J. Phys. 20, 083038 (2018)

    [abstract] [arXiv]

    • Physics World article
70. Communication: Is directed percolation in colloid-polymer mixtures linked to dynamic arrest?

    D. Richard, C.P. Royall, and T. Speck, J. Chem. Phys. 148, 241101 (2018)

    [abstract] [arXiv]
69. Crystallization of hard spheres revisited. II. Thermodynamic modeling, nucleation work, and the surface of tension

    D. Richard and T. Speck, J. Chem. Phys. 148, 224102 (2018)

    [abstract] [arXiv]
68. Coupling between criticality and gelation in "sticky" spheres: A structural analysis

    D. Richard, J. Hallett, T. Speck, and C.P. Royall, Soft Matter 14, 5554 (2018)

    [abstract] [arXiv]
67. Structural-dynamical transition in the Wahnström mixture

    F. Turci, T. Speck, and C.P. Royall, Eur. Phys. J. E 41, 54 (2018)

    [abstract] [arXiv]
66. Crystallization of hard spheres revisited. I. Extracting kinetics and free energy landscape from forward flux sampling

    D. Richard and T. Speck, J. Chem. Phys. 148, 124110 (2018)

    [abstract] [arXiv]
65. Dynamic coarse-graining fills the gap between atomistic simulations and experimental investigations of mechanical unfolding

    F. Knoch, K. Schäfer, G. Diezemann, and T. Speck, J. Chem. Phys. 148, 044109 (2018)

    [abstract] [arXiv]
64. Three-body correlations and conditional forces in suspensions of active hard disks

    A. Härtel, D. Richard, and T. Speck, Phys. Rev. E 97, 012606 (2018)

    [abstract] [arXiv]
63. Unfolding dynamics of small peptides biased by constant mechanical forces

    F. Knoch and T. Speck, Mol. Syst. Des. Eng. 3, 204 (2018)

    [abstract]

2017

62. Nonequilibrium depletion interactions in active microrheology

    R. Wulfert, U. Seifert, and T. Speck, Soft Matter 13, 9093 (2017)

    [abstract]

    • Front cover of Soft Matter
61. Non-Equilibrium Phase Transition in an Atomistic Glassformer: The Connection to Thermodynamics

    F. Turci, C.P. Royall, and T. Speck, Phys. Rev. X 7, 031028 (2017)

    [abstract] [arXiv]

    • Critical point in breaking the glass problem
60. Experimental Evidence for a Structural-Dynamical Transition in Trajectory Space

    R. Pinchaipat, M. Campo, F. Turci, J. Hallett, T. Speck, and C.P. Royall, Phys. Rev. Lett. 119, 028004 (2017)

    [abstract] [arXiv]
59. Self-assembly of colloidal molecules due to self-generated flow

    R. Niu, T. Palberg, and T. Speck, Phys. Rev. Lett. 119, 028001 (2017)

    [abstract] [arXiv]

    • Press release (in german)
58. Driven Brownian particle as a paradigm for a nonequilibrium heat bath: Effective temperature and cyclic work extraction

    R. Wulfert, M. Oechsle, T. Speck, and U. Seifert, Phys. Rev. E 95, 050103 (2017)

    [abstract] [arXiv]
57. Thermodynamic formalism for transport coefficients with an application to the shear modulus and shear viscosity

    T. Palmer and T. Speck, J. Chem. Phys. 146, 124130 (2017)

    [abstract] [arXiv]
56. Estimation of the critical behavior in an active colloidal system with Vicsek-like interactions

    B. Trefz, J.T. Siebert, T. Speck, K. Binder, and P. Virnau, J. Chem. Phys. 146, 074901 (2017)

    [abstract] [arXiv]
55. Phase behavior of active Brownian disks, spheres, and dimers

    J.T. Siebert, J. Letz, T. Speck, and P. Virnau, Soft Matter 13, 1020 (2017)

    [abstract] [arXiv]
54. Nonequilibrium Markov state modeling of the globule-stretch transition

    F. Knoch and T. Speck, Phys. Rev. E 95, 012503 (2017)

    [abstract] [arXiv]

2016

53. Discontinuous thinning in active microrheology of soft complex matter

    R. Wulfert, U. Seifert, and T. Speck, Phys. Rev. E 94, 062610 (2016)

    [abstract] [arXiv]
52. Gold Nanorods as Plasmonic Sensors for Particle Diffusion

    V. Wulf, F. Knoch, T. Speck, and C. Sönnichsen, J. Phys. Chem. Lett. 7, 4951 (2016)

    [abstract]
51. Collective behavior of active Brownian particles: From microscopic clustering to macroscopic phase separation

    T. Speck, Eur. Phys. J. Special Topics 225, 2287 (2016)

    [abstract]

    • Topical collection: Microswimmers – From Single Particle Motion to Collective Behaviour
50. Applicability of effective pair potentials for active Brownian particles

    M. Rein and T. Speck, Eur. Phys. J. E 39, 84 (2016)

    [abstract] [arXiv]

    • Topical issue: Nonequilibrium Collective Dynamics in Condensed and Biological Matter
49. Thermodynamic formalism and linear response theory for nonequilibrium steady states

    T. Speck, Phys. Rev. E 94, 022131 (2016)

    [abstract] [arXiv]
48. Polydisperse hard spheres: Crystallization kinetics in small systems and role of local structure

    M. Campo and T. Speck, J. Stat. Mech. 084007 (2016)

    [abstract] [arXiv]

    • Special issue: The Role of Structure in Glassy and Jammed Systems
47. Finite-size scaling of charge carrier mobility in disordered organic semiconductors

    P. Kordt, T. Speck, and D. Andrienko, Phys. Rev. B 94, 014208 (2016)

    [abstract] [arXiv]
46. Ideal bulk pressure of active Brownian particles

    T. Speck and R.L. Jack, Phys. Rev. E 93, 062605 (2016)

    [abstract] [arXiv]
45. Stochastic thermodynamics for active matter

    T. Speck, EPL 114, 30006 (2016)

    [abstract] [arXiv]

    • see the comment by A. Baskaran in the "Journal Club for Condensed Matter Physics"
44. Nucleation pathway and kinetics of phase-separating active Brownian particles

    D. Richard, H. Löwen, and T. Speck, Soft Matter 12, 5257 (2016)

    [abstract] [arXiv]

    • Front cover of Soft Matter
43. Collective Behavior of Quorum-Sensing Run-and-Tumble Particles under Confinement

    M. Rein, N. Heinß, F. Schmid, and T. Speck, Phys. Rev. Lett. 116, 058102 (2016)

    [abstract] [arXiv]
42. Transmission of torque at the nanoscale

    I. Williams, E.C. Oğuz, T. Speck, P. Bartlett, H. Löwen, and C.P. Royall, Nature Phys. 12, 98 (2016)

    [abstract] [arXiv]

    • Brennpunkt (in german): C. Bechinger, Physik Journal 15, 19 (2016)
    • Cover of Nature Physics
    • Bristol press release

2015

41. Cycle representatives for the coarse-graining of systems driven into a non-equilibrium steady state

    F. Knoch and T. Speck, New J. Phys. 17, 115004 (2015)

    [abstract] [arXiv]
40. The role of shear in crystallization kinetics: From suppression to enhancement

    D. Richard and T. Speck, Sci. Rep. 5, 14610 (2015)

    [abstract] [arXiv]
39. Negative Interfacial Tension in Phase-Separated Active Brownian Particles

    J. Bialké, J.T. Siebert, H. Löwen, and T. Speck, Phys. Rev. Lett. 115, 098301 (2015)

    [abstract] [arXiv]
38. Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles

    T. Speck, A.M. Menzel, J. Bialké, and H. Löwen, J. Chem. Phys. 142, 224109 (2015)

    [abstract] [arXiv]

    • JCP Editors' Choice 2015
37. Active colloidal suspensions: Clustering and phase behavior

    J. Bialké, T. Speck, and H. Löwen, J. Non-Cryst. Solids 407, 367 (2015)

    [abstract] [arXiv]

2014

36. Meta-work and the analogous Jarzynski relation in ensembles of dynamical trajectories

    R.M. Turner, T. Speck, and J.P. Garrahan, J. Stat. Mech. P09017 (2014)

    [abstract] [arXiv]
35. Effective Cahn-Hilliard Equation for the Phase Separation of Active Brownian Particles

    T. Speck, J. Bialké, A.M. Menzel, and H. Löwen, Phys. Rev. Lett. 112, 218304 (2014)

    [abstract] [arXiv]

2013

34. Stochastic thermodynamics of fluctuating density fields: Non-equilibrium free energy differences under coarse-graining

    T. Leonard, B. Lander, U. Seifert, and T. Speck, J. Chem. Phys. 139, 204109 (2013)

    [abstract] [arXiv]
33. Application of classical nucleation theory to the formation of adhesion domains

    R.L.C. Vink and T. Speck, Soft Matter 9, 11197 (2013)

    [abstract]
32. Microscopic theory for the phase separation of self-propelled repulsive disks

    J. Bialké, H. Löwen, and T. Speck, EPL 103, 30008 (2013)

    [abstract] [arXiv]
31. Gaussian field theory for the Brownian motion of a solvated particle

    T. Speck, Phys. Rev. E 88, 014103 (2013)

    [abstract] [arXiv]
30. Dynamical Clustering and Phase Separation in Suspensions of Self-Propelled Colloidal Particles

    I. Buttinoni, J. Bialké, F. Kümmel, H. Löwen, C. Bechinger, and T. Speck, Phys. Rev. Lett. 110, 238301 (2013)

    [abstract] [arXiv]
29. Crystallization in a sheared colloidal suspension

    B. Lander, U. Seifert, and T. Speck, J. Chem. Phys. 138, 224907 (2013)

    [abstract] [arXiv]

    • JCP Editors' Choice 2013

2012

28. The large deviation function for entropy production: the optimal trajectory and the role of fluctuations

    T. Speck, A. Engel, and U. Seifert, J. Stat. Mech. P12001 (2012)

    [abstract] [arXiv]
27. First-order Phase Transition in a Model Glass Former: Coupling of Local Structure and Dynamics

    T. Speck, A. Malins, and C.P. Royall, Phys. Rev. Lett. 109, 195703 (2012)

    [abstract]
26. Random pinning limits the size of membrane adhesion domains

    T. Speck and R.L.C. Vink, Phys. Rev. E 86, 031923 (2012)

    [abstract] [arXiv]
25. Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers

    T. Speck and D. Chandler, J. Chem. Phys. 136, 184509 (2012)

    [abstract] [arXiv]
24. Crystallization in a dense suspension of self-propelled particles

    J. Bialké, T. Speck, and H. Löwen, Phys. Rev. Lett. 108, 168301 (2012)

    [abstract] [arXiv]
23. Effective confinement as origin of the equivalence of kinetic temperature and fluctuation-dissipation ratio in a dense shear-driven suspension

    B. Lander, U. Seifert, and T. Speck, Phys. Rev. E 85, 021103 (2012)

    [abstract] [arXiv]

2011

22. Work distribution for the driven harmonic oscillator with time-dependent strength: Exact solution and slow driving

    T. Speck, J. Phys. A: Math. Gen. 44, 305001 (2011)

    [abstract] [arXiv]
21. Effective free energy for pinned membranes

    T. Speck, Phys. Rev. E 83, 050901(R) (2011)

    [abstract] [arXiv]
20. Space-time phase transitions in driven kinetically constrained lattice models

    T. Speck and J.P. Garrahan, Eur. Phys. J. B 79, 1 (2011)

    [abstract] [arXiv]

2010

19. Mobility and diffusion of a tagged particle in a driven colloidal suspension

    B. Lander, U. Seifert, and T. Speck, EPL 92, 58001 (2010)

    [abstract] [arXiv]
18. Specific adhesion of membranes: Mapping to an effective bond lattice gas

    T. Speck, E. Reister, and U. Seifert, Phys. Rev. E 82, 021923 (2010)

    [abstract] [arXiv]
17. Driven Soft Matter: Entropy Production and the Fluctuation-Dissipation Theorem

    T. Speck, Prog. Theor. Phys. Suppl. 184, 248 (2010)

    [abstract] [arXiv]

    • Special issue YKIS'09 Kyoto
16. Fluctuation-dissipation theorem in nonequilibrium steady states

    U. Seifert and T. Speck, EPL 89, 10007 (2010)

    [abstract] [arXiv]

2009

15. Extended fluctuation-dissipation theorem for soft matter in stationary flow

    T. Speck and U. Seifert, Phys. Rev. E 79, 040102(R) (2009)

    [abstract] [arXiv]

2008

14. Large deviation function for entropy production in driven one-dimensional systems

    J. Mehl, T. Speck, and U. Seifert, Phys. Rev. E 78, 011123 (2008)

    [abstract] [arXiv]
13. Role of External Flow and Frame Invariance in Stochastic Thermodynamics

    T. Speck, J. Mehl, and U. Seifert, Phys. Rev. Lett. 100, 178302 (2008)

    [abstract] [arXiv]

2007

12. The Jarzynski relation, fluctuation theorems, and stochastic thermodynamics for non-Markovian processes

    T. Speck and U. Seifert, J. Stat. Mech. L09002 (2007)

    [abstract] [arXiv]
11. Distribution of entropy production for a colloidal particle in a nonequilibrium steady state

    T. Speck, V. Blickle, C. Bechinger, and U. Seifert, Europhys. Lett. 79, 30002 (2007)

    [abstract] [arXiv]
10. Characterizing potentials by a generalized Boltzmann factor

    V. Blickle, T. Speck, U. Seifert, and C. Bechinger, Phys. Rev. E 75, 060101(R) (2007)

    [abstract] [arXiv]
9. Einstein relation generalized to nonequilibrium

   V. Blickle, T. Speck, C. Lutz, U. Seifert, and C. Bechinger, Phys. Rev. Lett. 98, 210601 (2007)

   [abstract] [arXiv]
8. Entropy production for mechanically or chemically driven biomolecules

   T. Schmiedl, T. Speck, and U. Seifert, J. Stat. Phys. 128 77 (2007)

   [abstract] [arXiv]

2006

7. Measurement of Stochastic Entropy Production

   C. Tietz, S. Schuler, T. Speck, U. Seifert, and J. Wrachtrup, Phys. Rev. Lett. 97, 050602 (2006)

   [abstract] [arXiv]
6. Restoring a fluctuation-dissipation theorem in a nonequilibrium steady state

   T. Speck and U. Seifert, Europhys. Lett. 74, 391 (2006)

   [abstract] [arXiv]
5. Thermodynamics of a Colloidal Particle in a Time-Dependent Nonharmonic Potential

   V. Blickle, T. Speck, L. Helden, U. Seifert, and C. Bechinger, Phys. Rev. Lett. 96, 070603 (2006)

   [abstract] [arXiv]

2005

4. Integral fluctuation theorem for the housekeeping heat

   T. Speck and U. Seifert, J. Phys. A: Math. Gen. 38, L581 (2005)

   [abstract] [arXiv]
3. Experimental Test of the Fluctuation Theorem for a Driven Two-Level System with Time-Dependent Rates

   S. Schuler, T. Speck, C. Tietz, J. Wrachtrup, and U. Seifert, Phys. Rev. Lett. 94, 180602 (2005)

   [abstract]
2. Dissipated work in driven harmonic diffusive systems: General solution and application to stretching Rouse polymers

   T. Speck and U. Seifert, Eur. Phys. J. B 43, 543 (2005)

   [abstract]

2004

1. Distribution of work in isothermal nonequilibrium processes

   T. Speck and U. Seifert, Phys. Rev. E 70, 066112 (2004)

   [abstract] [arXiv]

Other publications

prefaces and viewpoints

6. Focus on Active Colloids and Nanoparticles

   T. Speck, J. Tailleur, and J. Palacci, New J. Phys. 22 060201 (2020)

   [abstract]
5. A Theory to Tackle Supercooling

   T. Speck, Physics (2019)

   • link
4. Fundamental Problems in Statistical Physics XIV

   M. Baiesi, A. Rosso, and T. Speck, Physica A (2017)

   [abstract]
3. Special Issue on Structure in Glassy and Jammed Systems

   C.P. Royall and T. Speck, J. Stat. Mech. 054045 (2016)

   [abstract]

unpublished

2. Geometric view of stochastic thermodynamics for non-equilibrium steady states

   T. Speck, arXiv:1707.05289 (2017)

   [arXiv]
1. Liquid-liquid phase transition in an atomistic model glass former

   T. Speck, C.P. Royall, and S.R. Williams, arXiv:1409.0751 (2014)

   [arXiv]

Teaching in Mainz

• Sommersemester 2021: Statistische Physik (Theorie 4)
• Wintersemester 2020/2021: Elektrodynamik (Theorie 2)
• Sommersemester 2020: Theoretische Mechanik (Theorie 1)
• Wintersemester 2019/2020: Elektrodynamik (Theorie 2)
• Sommersemester 2019: Theoretische Mechanik (Theorie 1)
• Wintersemester 2018/2019: Mathematische Rechenmethoden
• Sommersemester 2018: Höhere Statistische Physik / Advanced Statistical Physics (Theorie 6b)
• Wintersemester 2017/2018: Fluid Dynamics (Ausgewählte Kapitel der Theorie kondensierter Materie)
• Sommersemester 2017: Freisemester
• Wintersemester 2016/2017: Elektrodynamik (Theorie 2)
• Sommersemester 2016: Theoretische Mechanik (Theorie 1)
• Wintersemester 2015/2016: Mathematische Rechenmethoden
• Sommersemester 2015:
  • Höhere Statistische Physik (Theorie 6b)
  • Kolloidphysik (Ausgewählte Kapitel der Festkörperphysik)
• Wintersemester 2014/2015: Statistische Physik (Theorie 4)
• Sommersemester 2014: Statistische Theorie der kondensierten Materie (Theorie 7)
• Wintersemester 2013/2014: Stochastic Dynamics (Spezialvorlesung)

Summer schools / Short courses

• 12/2020 TRR 146 Winter School, Mainz: Non-equilibrium statistical physics of biomolecular machines
• 06/2019 GSSI School "Statistical Mechanics of Active Matter”, GSSI L'Aquila (Italy): Thermodynamics of Self-Propulsion: From Single Particles to Interacting Suspensions
• 02/2019 Winter School on Motile Active Matter, Jülich: Active Brownian Particles
• 06/2018 IoP Advanced School in Liquids and Complex Fluids “Solutions in Spring”, Bristol (UK): Dynamical arrest

1. Determining extended Markov parameterizations for vector-valued generalized Langevin equations [.rXiv]
   N. Bockius, M. Braun, K. Hofmann, F. Schmid, M. Hanke, submitted (2025).
   
   
2. Active transport as a mechanism of microphase selection in biomolecular condensates
   L. Qiao, P. Gispert, F. Schmid, submitted (2025).
   
   
3. Dilute but dense - Reversible crosslinking enables water-rich (bio)molecular condensates
   X. Chen, J. A. Vishnu, P. Besenius, J. König, F. Schmid, submitted (2025).
   
   
4. A general model for frictional contacts in colloidal systems [.rXiv]
   K. Hofmann, K.-R. Dormann, B. Liebchen, F. Schmid, submitted (2025).
   
   
5. A kinetic model to simulate charge flow through an electrochemical half cell [.rXiv]
   D. Veloza-Diaz, F. Schmid, R. Cortes-Huerto, P. Ballone, N. C. Forero-Martinez, J. Chem. Phys. 163, 164113 (2025).
   doi: 10.1063/5.0295632
   Highlighted as Editor's Pick
   
   
6. Transient interactions between cationic ionizable lipids and anionic lipids foster lamellar to hexagonal phase transition [.rXiv]
   D.N. Zimmer, F. Schmid, G. Settanni, submitted (2025).
   
   
7. Simulation Insights into the Assembly of Polyplexes for RNA Delivery [.rXiv]
   J. Lehnen, J. Moreno Herrero, H. Haas, F. Schmid, G. Settanni, Biomacromolecules, accepted (2025).
   doi: 10.1021/acs.biomac.5c01219
   
   
8. From heteropolymer stiffness distributions to effective homopolymers. II. Conformational analysis of intrinsically disordered proteins [.rXiv]
   Y. Witzky, F. Schmid, A. Nikoubashman, J. Chem. Phys. 163, 164908 (2025).
   doi: 10.1063/5.0287110
   
   
9. From heteropolymer stiffness distributions to effective homopolymers. I. Theoretical modeling and computational verification [.rXiv]
   Y. Witzky, F. Schmid, A. Nikoubashman, J. Chem. Phys. 163, 164907 (2025).
   doi: 10.1063/5.0276010
   
   
10. Polymers - The hidden heroes of life
    D. Dormann et al., IN: Betz, U.A.K. (eds) Science for a Better Tomorrow. Springer, Cham. (2025).
    doi: 10.1007/978-3-031-93623-4_10
    
    
11. Assessing the helical stability of polyXYs at the boundaries of intrinsically disordered regions with MD simulations
    M. Gonçalves-Kulik, F. Schmid, M. A. Andrade-Navarro, Computational and Structural Biotechnology Reports 2, 100054 (2025).
    doi: 10.1016/j.csbr.2025.100054
    
    
12. Micelle forming Linear-Dendritic block copolymers: A theoretical comparison between random hyperbranched and precise dendrimer polymer architectur [.rXiv]
    M. Giannakou, O. Borisov, F. Schmid, Macromolecules 11, 5872 (2025).
    doi: 10.1021/acs.macromol.5c00615
    
    
13. Sol-gel transition in heteroassociative RNA-protein solutions: A quantitative comparison of coarse-grained simulations and the Semenov-Rubinstein theory [.rXiv]
    X. Chen, J. A. Vishnu, P. Besenius, J. König, F. Schmid, Macromolecules 58, 3331 (2025).
    doi: 10.1021/acs.macromol.4c03065
    
    
14. Relaxation dynamics of entangled linear polymer melts via molecular dynamics simulations [.rXiv]
    A. F. Behbahani, F. Schmid, Macromolecules 58, 767 (2024).
    doi: 10.1021/acs.macromol.4c02168
    
    
15. Ionizable cationic lipids and helper lipids synergistically contribute to RNA packing and protection in lipid-based nanomaterials
    D. N. Zimmer, F. Schmid, G. Settanni, J. Phys. Chem. B 128, 10165 (2024).
    doi: 10.1021/acs.jpcb.4c05057
    
    
16. Phase separation dynamics in wetting ridges of polymer surfaces swollen with oils of different viscosities
    Z. Cai, R. Badr, L. Hauer, K. Chaudhuri, A. Skabeev, F. Schmid, J. Pham, Soft Matter 20, 7300 (2024).
    doi: 10.1039/D4SM00576G
    
    
17. Strong stretching theory of polydisperse curved brushes [.rXiv]
    M. Giannakou, O. Borisov, F. Schmid, J. Chem. Phys. 161, 014903 (2024).
    doi: 10.1063/5.0213524
    
    
18. Conditions for the co-existence of promoter and gene-body condensates [.rXiv]
    A. Changiarath, J. J. Michels, R. Herrera Rodriguez, S. M. Hanson, F. Schmid, J. Padeken, L. S. Stelzl, (2024).
    doi: 10.1101/2024.03.16.585180
    
    
19. An efficient and accurate SCF algorithm for block copolymer films and brushes using adaptive discretization
    Le Qiao, M. Giannakou, F. Schmid, Polymers 26, 1228 (2024).
    doi: 10.3390/polym16091228
    
    
20. Atomistic molecular dynamics simulations of ABA-type polymer peptide conjugates: Insights into supramolecular structures and their circular dichroism spectra
    M. L. Obenauer, J. A. Dresel, M. Schweitzer, P. Besenius, F. Schmid, Macromol. Rapid Comm. 45, 2400149 (2024).
    doi: 10.1002/marc.202400149
    
    
21. Scalable approach to molecular motor-polymer conjugates for light-driven artificial muscles [.rXiv]
    X. Yao, J. A. Vishnu, C. Lupfer, D. Hoenders, O. Skarsetz, W. Chen, D. Dattler, A. Perrot, W-Z. Wang, C. Gao, N. Giuseppone, F. Schmid, A. Walther, Advanced Materials 36, 2403514 (2024).
    doi: 10.1002/adma.202403514
    Highlighted as Editor's Choice and featured as cover page
    
    
22. Stability and elasticity of ultrathin sphere-patterned block copolymer films [.rXiv]
    L. Qiao, D. Vega, F. Schmid, Macromolecules 57, 4629-4634 (2024).
    doi: 10.1021/acs.macromol.4c00460
    
    
23. Structure and dynamic evolution of interfaces between polymer solutions and gels and polymer interdiffusion: A Molecular dynamics study [.rXiv]
    J. A. Vishnu, T. Linder, S. Seiffert, F. Schmid, Macromolecules, 57, 5545 (2024).
    doi: 10.1021/acs.macromol.4c00459
    
    
24. Dynamics of droplets moving on lubricated polymer brushes [.rXiv]
    R. Badr, L. Hauer, D. Vollmer, F. Schmid, Langmuir 40, 12368 (2024).
    doi: 10.1021/acs.langmuir.4c00400
    
    
25. How boundary interactions dominate emergent driving of passive probes in active matter [.rXiv]
    J. Shea, G. Jung, F. Schmid, Journal of Physics A 57, 235006 (2024).
    doi: 10.1088/1751-8121/ad4ad7
    
    
26. A comprehensive approach to characterize navigation instruments for magnetic guidance in biological systems [.rXiv]
    P. Blümler, F. Raudzus, F. Schmid, Scientific Reports 14, 7879 (2024).
    doi: 10.1038/s41598-024-58091-x
    
    
27. Project RACCOON: Automated construction of PDB files for polymers and polymer peptide conjugates
    M. L. Obenauer, K. N. Spauszus, P. Besenius, F. Schmid, J. Open Source Software 9, 6293 (2024).
    doi: 10.21105/joss.06293
    
    
28. Force renormalization for probes immersed in an active bath [.rXiv]
    J. Shea, G. Jung, F. Schmid, Soft Matter 20, 1767 (2024).
    doi: 10.1039/D3SM01387A
    
    
29. The effect of electric fields on the structure of water/acetonitrile mixtures
    A. I. Sourpis, N. C. Forero-Martinez, F. Schmid, J. Electrochem. Soc. 170, 083508 (2023).
    doi: 10.1149/1945-7111/acef61
    
    
30. Viscosity of flexible and semiflexible ring melts - molecular origins and flow-induced segregation [.rXiv]
    R. Datta, F. Berressem, F. Schmid, A. Nikoubashman, P. Virnau, Macromolecules 56, 7247 (2023).
    doi: 10.1021/acs.macromol.3c01046
    
    
31. One step closer to the understanding of the relationship IDR-LCR-Structure
    M. Gonçalves-Kulik, F. Schmid, M. A. Andrade-Navarro, Genes 14, 1711 (2023).
    doi: 10.3390/genes14091711
    
    
32. Stability of Branched Tubular Membrane Structures [.rXiv]
    M. Jung, G. Jung, F. Schmid, Phys. Rev. Lett. 130, 148401 (2023).
    doi: 10.1103/PhysRevLett.130.148401
    
    
33. Understanding and Modeling Polymers: The Challenge of Multiple Scales [.rXiv]
    F. Schmid, ACS Polymers Au 3, 28 (2023).
    doi: 10.1021/acspolymersau.2c00049
    
    
34. Compression and interpenetration of adsorption-active brushes
    A.S. Ivanova, A.A. Polotsky, A.M. Skvortsov, L.I. Klushin, F. Schmid, J. Chem. Phys. 158, 024902 (2023).
    doi: 10.1063/5.0130347
    
    
35. Virtual Issue on Polymers: Recent Advances from a Physical Chemistry Perspective (Editorial)
    F. Schmid, J. Phys. Chem. B 126, 8359 (2022).
    doi: 10.1021/acs.jpcb.2c06378
    
    
36. Cloaking transition of droplets on lubricated brushes [.rXiv]
    R. Badr, L. Hauer, D. Vollmer, F. Schmid, J. Phys. Chem. B, 126,36, 7047 (2022).
    doi: 10.1021/acs.jpcb.2c04640
    
    
37. Passive probe particle in an active bath: Can we tell it is out of equilibrium? [.rXiv]
    J. Shea, G. Jung, F. Schmid, Soft Matter, 18, 6965 (2022).
    doi: 10.1039/D2SM00905F
    
    
38. Low complexity induces structure in protein regions predicted as intrinsically disordered
    M. Gonçalves-Kulik, P. Mier, K. Kastano, J. Cortés, P. Bernadó, F. Schmid, M. A. Andrade-Navarro, Biomolecules 12, 1098 (2022).
    doi: 10.3390/biom12081098
    
    
39. Editorial: Multiscale simulation methods for soft matter systems
    F. Schmid, J. Phys.: Cond. Matter 34, 160401 (2022).
    doi: 10.1088/1361-648X/ac5071
    
    
40. Adsorption-active polydisperse brush with tunable molecular mass distribution [.rXiv]
    A.S. Ivanova, A.A. Polotsky, A.M. Skvortsov, L.I. Klushin, F. Schmid, J. Chem. Phys. 156, 044902 (2022).
    doi: 10.1063/5.007638
    
    
41. pH-dependent behavior of ionizable cationic lipids in mRNA-carrying lipoplexes investigated by molecular dynamics simulations
    G. Settanni, W. Brill, H. Haas, F. Schmid, Macr. Rapid Comm. 43, 2100683 (2022).
    doi: 10.1002/marc.202100683
    Highlighted in Advanced Science News
    
    
42. Fluctuation-Dissipation Relations far from equilibrium: A case study [.rXiv]
    G. Jung, F. Schmid, Soft Matter 17, 6413 (2021).
    doi: 10.1039/D1SM00521A
    
    
43. Introducing memory in coarse-grained simulations
    V. Klippenstein, M. Tripathy, G. Jung, F. Schmid, N. van der Vegt, J. Phys. Chem. B, 125, 4931 (2021).
    doi: 10.1021/acs.jpcb.1c01120
    
    
44. Shear-thinning in oligomer melts: Molecular origins and Applications [.rXiv]
    R. Datta, L. Yelash, F. Schmid, F. Kummer, M. Oberlack, M. Lukacova-Medvidova, P. Virnau, Polymers 13, 2806 (2021).
    doi: 10.3390/polym13162806
    
    
45. Dynamic coarse-graining of polymer systems using mobility functions [.rXiv]
    B. Li, K. Daoulas, F. Schmid, J. Phys.: Cond. Matter 33, 194004 (2021).
    doi: 10.1088/1361-648X/abed1b
    
    
46. Model reduction techniques for the computation of extended Markov parameterizations for generalized Langevin equations [.rXiv]
    N. Bockius, J. Shea, G. Jung, F. Schmid, M. Hanke, J. Phys.: Cond. Matter 33, 214003 (2021).
    doi: 10.1088/1361-648X/abe6df
    
    
47. Adsorption-active diblock copolymers as universal agents for unusual barrier-free transitions in stimuli-responsive brushes
    S. Qi, L.I. Klushin, A.M. Skvortsov, F. Schmid, Macromolecules 54, 2592 (2021).
    doi: 10.1021/acs.macromol.0c02095
    
    
48. Polymer brushes with reversibly tunable grafting density [.rXiv]
    L.I. Klushin, A.M. Skvortsov, A.A. Polotsky, A.S. Ivanova, F. Schmid, J. Chem. Phys. 154, 074904 (2021).
    doi: 10.1063/5.0038202
    
    
49. Optimizing the nickel boride layer thickness in a spectroelectrochemical ATR-FTIR thin-film flow cell applied in glycerol oxidation
    S. Cychy, S. Lechler, Z. Huang, M. Braun, A.-C. Brix, P. Blümler, C. Andronescu, F. Schmid, W. Schuhmann, M. Muhler, Chinese Journal of Catalysis 42, 2206 (2021).
    doi: 10.1016/S1872-2067(20)63766-4
    
    
50. Defects and defect engineering in soft matter
    A. Jangizehi, F. Schmid, P. Besenius, K. Kremer, S. Seiffert, Soft Matter 16, 10809-10859 (2020).
    doi: 10.1039/d0sm01371d
    
    
51. Dynamic self-consistent field approach for studying kinetic processes in multiblock copolymer melts [.rXiv]
    F. Schmid, B. Li, Polymers 12, 2205 (2020).
    doi: 10.3390/polym12102205
    
    
52. Editorial: Characteristics of Impactful Computational Contributions to The Journal of Physical Chemistry B
    P. Jungwirth, E. J. Maginn, B. Roux, F. Schmid, J.-E. Shea, J. Phys. Chem. B 124, 5093 (2020).
    doi: 10.1021/acs.jpcb.0c04149
    
    
53. Using copolymers to design tunable stimuli-reponsive brushes
    S. Qi, L.I. Klushin, A.M. Skvortsov, F. Schmid, Macromolecules 53, 13 (2020).
    doi: 10.1021/acs.macromol.0c00674
    
    
54. Bottom-up construction of dynamic density functional theories for inhomogeneous polymer systems from microscopic simulations [.rXiv]
    S. Mantha, S. Qi, F. Schmid, Macromolecules 53, 3409 (2020).
    doi: 10.1021/acs.macromol.0c00130
    Featured in Advances in Engineering
    
    
55. Trans-Cyclooctene-Functionalized PeptoBrushes with Improved Reaction Kinetics of the Tetrazine Ligation for Pretargeted Nuclear Imaging
    E. J. Steen, J. T. Jorgensen, K. Johann, K. Norregaard, B. Sohr, D. Svatunek, A. Birke, V. Shalgunov, P. E. Edem, R. Rossin, C. Seidl, F. Schmid, M. S. Robillard, J. L. Kristensen, H. Mikula, M. Barz, A. Kjaer, M. M. Herth, ACS Nano 14, 568 (2020).
    doi: 10.1021/acsnano.9b06905
    
    
56. Erratum: Quorum-sensing active particles with discontinuous motility
    A. Fischer, F. Schmid, T. Speck, Phys. Rev. E 102, 059903 (2020).
    doi: 10.1103/PhysRevE.102.059903
    
    
57. Quorum-sensing active particles with discontinuous motility [.rXiv]
    A. Fischer, F. Schmid, T. Speck, Phys. Rev. E 101, 012601 (2020).
    doi: 10.1103/PhysRevE.101.012601
    
    
58. Shear modulus of an irreversible diblock copolymer network from self-consistent field theory
    S. Qi, J. Zhou, F. Schmid, Macromolecules 52, 9569 (2019).
    doi: 10.1021/acs.macromol.9b09851
    
    
59. Order-order phase transitions induced by supercritical carbon dioxide in triblock copolymer thin films
    A. Abate, G. Vu, C. Piqueras, M.C. del Barrio, L. Gomez, G. Catalini, F. Schmid, D. Vega, JOURNAL (2019).
    doi: 10.1021/acs.macromol.9b01278
    
    
60. Anomalous Slowdown of Polymer Detachment Dynamics on Carbon Nanotubes
    D.A. Vega, A. Milchev, F. Schmid, M. Febbo, Phys. Rev. Lett. 122, 218003 (2019).
    doi: 10.1103/PhysRevLett.122.218003
    
    
61. The molecular Lego movie
    A. Nikoubashman, F. Schmid, Nature Chemistry 11, 298 (2019).
    doi: 10.1038/s41557-019-0243-8
    Invited News and Views article
    
    
62. Frequency-dependent dielectric polarizability of flexible polyelectrolytes in electrolyte solution: A Dissipative Particle Dynamics simulation
    G. Jung, S. Kasper, F. Schmid, J. Electrochem. Soc. 166, B3194-B3202 (2019).
    doi: 10.1149/2.0231909jes
    
    
63. Superfast collective motion of magnetic particles [.rXiv]
    O. Baun, P. Blümler, F. Schmid, E. S. Asmolov, O. I. Vinogradova,, Preprint (2019).
    
    
64. Polydispersity effects on interpenetration in compressed brushes
    L.I. Klushin, A.M. Skvortsov, S. Qi, T. Kreer, F. Schmid, Macromolecules 52, 1810 (2019).
    doi: 10.1021/acs.macromol.8b02361
    
    
65. Structure of lateral heterogeneities in a coarse-grained model for multicomponent membranes
    S. Meinhardt, F. Schmid, Soft Matter 15, 1942 (2019).
    doi: 10.1039/c8sm02261e
    Featured on the cover of the journal
    
    
66. How ill-defined constituents produce well-defined nanoparticles: Effect of polymer dispersity on the uniformity of copolymeric micelles [.rXiv]
    S. Mantha, S. Qi, M. Barz, F. Schmid, Phys. Rev. Materials 3, 026002 (2019).
    doi: 10.1103/PhysRevMaterials.3.026002
    Highlighted as Editor's Suggestion
    
    
67. Structure and dynamics of B2O3 melts and glasses: From ab initio to classical molecular dynamics simulations
    C. Scherer, F. Schmid, M. Letz, J. Horbach, Computational Materials Science 159, 73-85 (2019).
    doi: 10.1016/j.commatsci.2018.12.001
    
    
68. Theoretical approaches to amphiphilic polymer conetworks
    F. Schmid, Chapter 11 in ''Amphiphilic polymer co-networks: Synthesis, properties, modelling and application'', pp. 239-261, Edt. Costas Patrickios, RSC Publishing (2019).
    doi: 10.1039/9781788015769-00239
    
    
69. Generalized Brownian dynamics: Construction and numerical integration of non-Markovian particle-based models [.rXiv]
    G. Jung, M. Hanke, F. Schmid, Soft Matter 14, 9368 (2018).
    doi: 10.1039/C8SM01817K
    
    
70. Polysarcosine and poly(ethylene-glycol) interactions with proteins investigated using molecular dynamics simulations [.rXiv]
    G. Settanni, T. Schäfer, C. Muhl, M. Barz, F. Schmid, Computational and Structural Biotechnology Journal 16, 543 (2018).
    doi: 10.1016/j.csbj.2018.10.012
    
    
71. Polydisperse brush with a linear density profile
    L.I. Klushin, A.M. Skvortsov, S. Qi, F. Schmid, Polymer Science, Series C 60, Suppl. 2, pp. S84-S94 (2018).
    doi: 10.1134/S1811238218020121
    
    
72. Curvature as a guiding field for patterns in thin block copolymer films [.rXiv]
    G.T. Vu, A.A. Abate, L.R. Gomez, A.D. Pezzutti, R.A. Register, D.A. Vega, F. Schmid, Phys. Rev. Lett. (2018).
    doi: 10.1103/PhysRevLett.121.087801
    Featured in Physics
    
    
73. Tuning transition properties of stimuli-responsive brushes by polydispersity
    S. Qi, L.I. Klushin, A.M. Skvortsov, M. Liu, J. Zhou, F. Schmid, Adv. Funct. Materials 28, 1800745 (2018).
    doi: 10.1002/adfm.201800745
    
    
74. Critical behavior of active Brownian particles [.rXiv]
    J.T. Siebert, F. Dittrich, F. Schmid, K. Binder, T. Speck, P. Virnau, Phys. Rev. E 98, 03061(R) (2018).
    doi: 10.1103/PhysRevE.98.030601
    
    
75. Phase transitions in single macromolecules: Loop-stretch transition versus loop-adsorption transition in end-grafted polymer chains [.rXiv]
    S. Zhang, S. Qi, L.I. Klushin, A.M. Skvortsov, D. Yan, F. Schmid, J. Chem. Phys. 148, 044903 (2018).
    doi: 10.1063/1.5013346
    
    
76. Hybrid particle-continuum simulations coupling Brownian dynamics and local dynamic density functional theory [.rXiv]
    S. Qi, F. Schmid, Soft Matter 13, 7938 (2017).
    doi: 10.1039/C7SM01749A
    
    
77. Frequency-dependent hydrodynamic interactions between two solid spheres [.rXiv]
    G. Jung, F. Schmid, Physics of Fluids 29, 126101 (2017).
    doi: 10.1063/1.5001565
    
    
78. Potassium triggers a reversible specific stiffness transition of polyethylene glycol
    L. Tüting, W. Ye, G. Settanni, F. Schmid, B. Wolf, R. Ahijado-Guzman, C. Sönnichsen, J. Phys. Chem. C 121, 22396 (2017).
    doi: 10.1021/acs.jpcc.7b08987
    
    
79. Dynamic density functional theories for inhomogeneous polymer systems compared to Brownian dynamics simulations [.rXiv]
    S. Qi, F. Schmid, Macromolecules 50, 9831 (2017).
    doi: 10.1021/acs.macromol.7b02017
    
    
80. Anomalous critical slowdown at a first order phase transition in single polymer chains [.rXiv]
    S. Zhang, S. Qi, L.I. Klushin, A.M. Skvortsov, D. Yan, F. Schmid, J. Chem. Phys. 147, 064902 (2017).
    doi: 10.1063/1.4997435
    
    
81. Simulating Copolymeric nanoparticle assembly in the co-solvent method: How mixing rates control final particle sizes and morphologies [.rXiv]
    S. Keßler, K. Drese, F. Schmid, Polymer 126C, 9-18 (2017).
    doi: 10.1016/j.polymer.2017.07.057
    
    
82. Iterative reconstruction of memory kernels [.rXiv]
    G. Jung, M. Hanke, F. Schmid, J. Chemical Theory and Computation 13, 2481 (2017).
    doi: 10.1021/acs.jctc.7b00274
    
    
83. Interactions between proteins and poly(ethylene-glycol) investigated using Molecular Dynamics simulations
    G. Settanni, J. Zhou, F. Schmid, J. Phys.: Conf. Ser. 921, 012002 (2017).
    doi: 10.1088/1742-6596/921/1/012002
    
    
84. Self-assembly of polymeric particles in Poiseuille flow: A hybrid Lattice Boltzmann / External Potential Dynamics simulation study [.rXiv]
    J. Heuser, G. J. A. Sevink, F. Schmid, Macromolecules 50, 4474 (2017).
    doi: 10.1021/acs.macromol.6b2684
    
    
85. The influence of block ionomer microstructure on polyplex properties: Can simulations help to understand differences in transfection efficiency?
    P. Heller, B. Weber, J. Zhou, D. Hobernik, M. Bros, F. Schmid, M. Barz, Small 13, 1603694 (2017).
    doi: 10.1002/smll.201603694
    
    
86. Physical mechanisms of micro- and nanodomain formation in multicomponent lipid membranes [.rXiv]
    F. Schmid, Biochimica et Biophysica Acta 1859, 509 (2017).
    doi: 10.1016/j.bbamem.2016.10.021
    
    
87. Combining cell-based hydrodynamics with hybrid particle-field simulations: Efficient and realistic simulation of structuring dynamics
    G. J. A. Sevink, F. Schmid, T. Kawakatsu, G. Milano, Soft Matter 13, 1594 (2017).
    doi: 10.1039/C6SM02252A
    
    
88. Protein corona composition of PEGylated nanoparticles correlates strongly with amino acid composition of protein surface [.rXiv]
    G. Settanni, J. Zhou, T. Suo, S. Schöttler, K. Landfester, F. Schmid, V. Mailänder, Nanoscale 9, 2138 (2017).
    doi: 10.1039/C6NR07022A
    
    
89. Negative thermal expansion of quartz glass at low temperatures: An ab initio simulation study
    C. Scherer, J. Horbach, F. Schmid, M. Letz, J. Non-crystalline Solids 468, 82 (2017).
    doi: 10.1016/j.jnoncrysol.2017.04.035
    
    
90. Polydisperse polymer brushes: Internal structure, critical behavior, and interaction with flow [.rXiv]
    S. Qi, L. I. Klushin, A. M. Skvortsov, F. Schmid, Macromolecules 49, 9665 (2016).
    doi: 10.1021/acs.macromol.6b02026
    
    
91. Shear-aligned block copolymer monolayers as seeds to control the orientational order in cylinder-forming block copolymer thin films
    A. Abate, G. Vu, A. Pezzutti, N. Garcia, R. Davis, F. Schmid, R. Register, D. Vega, Macromolecules 49, 7588 (2016).
    doi: 10.1021/acs.macromol.6b00816
    
    
92. A hybrid particle-continuum resolution method and its application to a homopolymer solution [.rXiv]
    S. Qi, H. Behringer, T. Raasch, F. Schmid, Eur. Phys. J. Spec. Top. 225, 1527 (2016).
    doi: 10.1140/epjst/e2016-60096-8
    
    
93. Computing bulk and shear viscosities from simulations of fluids with dissipative and stochastic interactions [.rXiv]
    G. Jung, F. Schmid, J. Chem. Phys. 144, 204104 (2016).
    doi: 10.1063/1.4950760
    
    
94. Complex formation between polyelectrolytes and oppositely charged oligoelectrolytes [.rXiv]
    J. Zhou, M. Barz, F. Schmid, J. Chem. Phys. 144, 164902 (2016).
    doi: 10.1063/1.4947255
    
    
95. Modeling size controlled nanoparticle precipitation with the co-solvency method by spinodal decomposition [.rXiv]
    S. Keßler, F. Schmid, K. Drese, Soft Matter 12, 7231 (2016).
    doi: 10.1039/C6SM01198E
    
    
96. Collective behavior of quorum-sensing run-and-tumble particles in confinement [.rXiv]
    M. Rein, N. Heinß, F. Schmid, T. Speck, Phys. Rev. Lett. 116, 058102 (2016).
    doi: 10.1103/PhysRevLett.116.058102
    
    
97. Molecular dynamics simulations of the initial adsorption stages of fibrinogen on mica and graphite surfaces [.rXiv]
    S. Köhler, F. Schmid, G. Settanni, Langmuir 48, 13180 (2015).
    doi: 10.1021/acs.langmuir.5b00371
    
    
98. Statistical properties of linear-hyperbranched graft copolymers prepared via ''hypergrafting'' of ABm monomers from linear B-functional core chains: A Molecular Dynamics simulation [.rXiv]
    H. Rabbel, H. Frey, F. Schmid, J. Chem. Phys. 143, 243125 (2015).
    doi: 10.1063/1.4935371
    
    
99. Interplay of curvature-induced micro- and nanodomain structures in multicomponent lipid bilayers [.rXiv]
    L. Brodbek, F. Schmid, Int J Adv Eng Sci Appl Math 8, 111 (2016).
    doi: 10.1007/s12572-015-0152-z
    
    
100. Computer simulations of single particles in external electric fields [.rXiv]
     J. Zhou, F. Schmid, Soft Matter 11, 6728 (2015).
     doi: 10.1039/C5SM01485A
     
     
101. Stimuli-responsive brushes with active minority components: Monte Carlo study and analytical theory [.rXiv]
     S. Qi, L.I. Klushin, A.M. Skvortsov, A.A. Polotsky, F. Schmid, Macromolecules 48, 3775 (2015).
     doi: 10.1021/acs.macromol.5b00563
     
     
102. The internal dynamics of fibrinogen and its implications for coagulation and adsorption
     S. Köhler, F. Schmid, G. Settanni, PLOS Comput. Biol. 11, e1004346 (2015).
     doi: 10.1371/journal.pcbi.1004346
     
     
103. Solvent determines nature of effective interactions between nanoparticles in polymer brushes
     Z. Lian, S. Qi, J. Zhou, F. Schmid, J. Phys. Chem. B 119, 4099 (2015).
     doi: 10.1021/jp511911g
     
     
104. Morphology control in biphasic hybrid systems of semiconducting materials
     F. Mathias, A. Fokina, K. Landfester, W. Tremel, F. Schmid, K. Char, R. Zentel, Macromolecular Rapid Communications 36, 959 (2015).
     doi: 10.1002/marc.201400688
     
     
105. An efficient dissipative particle dynamics-based algorithm for simulating electrolyte solutions [.rXiv]
     S. Medina, J. Zhou, Z.-G. Wang, F. Schmid, J. Chem. Phys. 142, 024103 (2015).
     doi: 10.1063/1.4905102
     
     
106. Flows and mixing in channels with misaligned superhydrophobic walls [.rXiv]
     T. V. Nizkaya, E. S. Asmolov, J. Zhou, F. Schmid, O. I. Vinogradova, Phys. Rev. E 91, 033020 (2015).
     doi: 10.1103/PhysRevE.91.033020
     
     
107. The structure of cholesterol in lipid rafts [.rXiv]
     L. Toppozini, S. Meinhardt, C. L. Armstrong, Z. Yamani, N. Kuvcerka, F. Schmid, M. Rheinstädter, Phys. Rev. Lett. 113, 228101 (2014).
     doi: 10.1103/PhysRevLett.113.228101
     
     
108. Sharp and fast: Sensors and switches based on polymer brushes with adsorption-active minority chains [.rXiv]
     L.I. Klushin, A.M. Skvortsov, A.A. Polotsky, S. Qi, F. Schmid, Phys. Rev. Lett. 113, 068303 (2014).
     doi: 10.1103/PhysRevLett.113.068303
     
     
109. Strategy for good dispersion of well-defined tetrapods in semiconducting polymer materials
     J. Lim, L. zur Borg, S. Dolezel, F. Schmid, K. Char, R. Zentel, Macromolecular Rapid Communications 35, 1685 (2014).
     doi: 10.1002/marc.201400314
     
     
110. Computational studies of biomembrane systems: Theoretical considerations, computer simulation models, and applications [.rXiv]
     M. Deserno, K. Kremer, H. Paulsen, C. Peter, F. Schmid, Advances in Polymer Science 260, 237 (2014).
     doi: 10.1007/12_2013_258
     
     
111. On ripples and rafts: Curvature induced nanoscale structures in lipid membranes
     F. Schmid, S. Dolezel, O. Lenz, S. Meinhardt, J. Physics: Conference Series 487, 012004 (2014).
     doi: 10.1088/1742-6596/487/1/012004
     
     
112. Computer simulation of flow past superhydrophobic striped surfaces
     J. Zhou, A. V. Belyaev, E. S. Asmolov, O. I. Vinogradova, F. Schmid, NIC-Series 47, 407 (2014).
     doi: http://juser.fz-juelich.de/record/151286/files/FZJ-2014-01274.pdf
     
     
113. The flexibility of fibrinogen and its initial adsorption stages at graphite and mica surfaces [.rXiv]
     S. Köhler, F. Schmid, G. Settanni, NIC-Series 47,117 (2014).
     
     
114. A Dissipative-Particle-Dynamics model for simulating dynamics of charged colloids [.rXiv]
     J. Zhou, F. Schmid, 'High performance computing in Science and Engineering' 13, W. E. Nagel et al eds., Springer (2014).
     
     
115. Computer simulations of charged colloids in alternating electric fields [.rXiv]
     J. Zhou, F. Schmid, Eur. Phys. J.: Special topics 222, 2911 (2013).
     doi: 10.1140/epjst/e2013-02066-y
     
     
116. Effective slippage on superhydrophobic trapezoidal grooves [.rXiv]
     J. Zhou, E.S. Asmolov, F. Schmid, O.I. Vinogradova, J. Chem. Phys. 139, 174708 (2013).
     doi: 10.1063/1.4827867
     
     
117. Self-consistent field approach for crosslinked copolymer materials [.rXiv]
     F. Schmid, Phys. Rev. Lett. 111, 028303 (2013).
     doi: 10.1103/PhysRevLett.111.028303
     
     
118. Elastic properties and line tension of self-assembled bilayer membranes [.rXiv]
     J. Li, K.A. Pastor, A.-C. Shi, F. Schmid, J. Zhou, Phys. Rev. E 88, 012718 (2013).
     doi: 10.1103/PhysRevE.88.012718
     
     
119. Hyperbranched graft-copolymers by "Hypergrafting" of ABm monomers from polydisperse macroinitiator cores: Theory meets synthesis
     C. Schüll, H. Rabbel, F. Schmid, H. Frey, Macromolecules 46, 5823 (2013).
     doi: 10.1002/ma401119r
     
     
120. Dynamic and dielectric response of charged colloids in electrolyte solutions to external electric fields [.rXiv]
     J. Zhou, R. Schmitz, B. Dünweg, F. Schmid, J. Chem. Phys. 139, 024901 (2013).
     doi: 10.1063/1.4812692
     
     
121. Using field theory to construct hybrid particle-continuum simulation schemes with adaptive resolution for soft matter systems [.rXiv]
     S. Qi, H. Behringer, F. Schmid, New J. Physics 15, 125009 (2013).
     doi: 10.1088/1367-2630/15/12/125009
     
     
122. A hybrid particle-continuum model in soft-condensed matter simulations
     S. Qi, H. Behringer, F. Schmid, NIC Series 46, 193 (2013).
     
     
123. Effective slip-length tensor for a flow over weakly stripping stripes [.rXiv]
     E.S. Asmolov, J. Zhou, F. Schmid, O.I. Vinogradova, Phys. Rev. E 88, 023004 (2013).
     doi: 10.1103/PhysRevE.88.023004
     
     
124. Monolayer curvature stabilizes nanoscale raft domains in mixed lipid bilayers [.rXiv]
     S. Meinhardt, R.L.C. Vink, F. Schmid, PNAS 110, 4476 (2013).
     doi: 10.1073/pnas.1221075110
     
     
125. AC-field induced polarization for uncharged colloids in salt solution: A Dissipative Particle Dynamics simulation [.rXiv]
     J. Zhou, F. Schmid, Eur. Phys. J. E 36, 33 (2013).
     doi: 10.1140/epje/i2013-13033-0
     
     
126. A model for rod-coil block copolymers
     S. Dolezel, H. Behringer, F. Schmid, Polymer Science, Ser. C 55, 70 (2013).
     doi: 10.1134/S1811238213060015
     
     
127. Fluctuations in lipid bilayers: Are they understood? [.rXiv]
     F. Schmid, Biophys. Rev. and Lett. 8, 1 (2013).
     doi: 10.1142/S1793048012300113
     
     
128. Interactions of membranes with coarse-grain proteins: A comparison
     J. Neder, P. Nielaba, B. West, F. Schmid, New J. Phys. 14, 125017 (2012).
     doi: 10.1088/1367-2630/14/12/125017
     
     
129. Exploiting seeding of random number generators for efficient domain decomposition parallelization of dissipative particle dynamics
     Y. Afshar, F. Schmid, A. Pishevar, S. Worley, Comp. Phys. Comm. 184, 1119 (2012).
     doi: 10.1016/j.cpc.2012.12.003
     
     
130. A new algorithm for simulating flows of conducting fluids in the presence of electric fields
     M. Joulaian, A. Pishevar, S. Khajepor, F. Schmid, Y. Afshar, Comp. Phys. Comm. 183, 2405 (2012).
     doi: 10.1016/j.cpc.2012.06.008
     
     
131. Anisotropic flow in striped superhydrophobic channels [.rXiv]
     J. Zhou, A. Belyaev, F. Schmid, O. Vinogradova, J. Chem. Phys. 136, 194706 (2012).
     doi: 10.1063/1.4718834
     
     
132. Dielectric response of nanoscopic spherical colloids in alternating electric fields: A dissipative particle dynamics simulation [.rXiv]
     J. Zhou, F. Schmid, J. Phys.: Cond. Matter 24, 464112 (2012).
     doi: 10.1088/0953-8984/24/46/464112
     
     
133. Mesoscopic simulation methods for studying flow and transport in electric fields in micro- and nanochannels
     J. Smiatek, F. Schmid, Chapter 5 in 'Advances in Microfluidics', pp. 97-126 Intech Open Access Publisher (2012).
     doi: 10.5772/35773
     
     
134. Separation of chiral particles in nanofluidic channels [.rXiv]
     S. Meinhardt, J. Smiatek, R. Eichhorn, F. Schmid, Phys. Rev. Lett. 108, 214504 (2012).
     doi: 10.1103/PhysRevLett.108.214504
     
     
135. Reply to Comment on: ''Are stress-free membranes really 'tensionless'?'' [.rXiv]
     F. Schmid, EPL 97, 18002 (2012).
     doi: 10.1209/0295-5075/97/18002
     
     
136. Hybrid Lattice Boltzmann / Dynamic Self-Consistent Field simulations of microphase separation and vesicle formation in block copolymer systems [.rXiv]
     L. Zhang, G.J.A. Sevink, F. Schmid, Macromolecules 44, 9434 (2011).
     doi: 10.1021/ma2018638
     
     
137. Membrane-mediated protein-protein interactions: A Monte Carlo study [.rXiv]
     J. Neder, P. Nielaba, B. West, F. Schmid, Current Nanoscience 7, 656 (2011).
     doi: 10.2174/157341311797483655
     
     
138. Are stress-free membranes really 'tensionless'? [.rXiv]
     F. Schmid, EPL 95, 28008 (2011).
     doi: 10.1209/0295-5075/95/28008
     
     
139. Theory and simulation of multiphase polymer systems [.rXiv]
     F. Schmid, Chapter 3 in 'Handbook of Multiphase Polymer Systems', Eds. A. Boudenne, L. Ibos, Y. Candau, S. Thomas, pp. 31-80 (Wiley) (2011).
     doi: 10.1002/9781119972020.CH3
     
     
140. Analytical model for the long-distance tracer transport in plants
     J. Bühler, G. Huber, F. Schmid, P. Blümler, J. Theoretical Biology 270, 70 (2011).
     doi: 10.1016/j.jtbi.2010.11.005
     
     
141. Mesoscopic simulations of electroosmotic flow and electrophoresis in nanochannels [.rXiv]
     J. Smiatek, F. Schmid, Comp. Phys. Comm. 182, 1941 (2011).
     doi: 10.1016/j.cpc.2010.11.021
     
     
142. A method to compute absolute free energies or enthalpies of fluids [.rXiv]
     F. Schmid, T. Schilling, Physics Procedia 4, 131 (2010).
     doi: 10.1016/j.phpro.2010.08.017
     
     
143. Polyelectrolyte electrophoresis in nanochannels: A Dissipative Particle Dynamics simulation [.rXiv]
     J. Smiatek, F. Schmid, J. Phys. Chem. B 114, 6266 (2010).
     doi: 10.1021/jp100128p
     
     
144. Coarse-grained simulations of membranes under tension [.rXiv]
     J. Neder, B. West, P. Nielaba, F. Schmid, J. Chem. Phys. 132, 115101 (2010).
     doi: 10.1063/1.3352583
     
     
145. Membrane-protein interactions in lipid bilayers: Molecular simulations versus elastic theory
     B. West, F. Schmid, IAS Series Vol. 3, 279 (2010).
     
     
146. Fluctuations and elastic properties of lipid membranes in the fluid and gel state: A coarse-grained Monte Carlo study [.rXiv]
     B. West, F. Schmid, Soft Matter 6, 1275 (2010).
     doi: 10.1039/B920978F
     
     
147. Computing absolute free energies of disordered structures by molecular simulations [.rXiv]
     T. Schilling, F. Schmid, J. Chem. Phys. 131, 231102 (2009).
     doi: 10.1063/1.3274951
     
     
148. Random copolymer adsorption: Morita approximation compared to exact numerical calculations [.rXiv]
     A.A. Polotsky, A. Degenhard, F. Schmid, J. Chem. Phys. 131, 04903 (2009).
     doi: 10.1063/1.3193723
     
     
149. Mesoscopic simulations of the counterion-induced electroosmotic flow in nanochannels - a comparative study [.rXiv]
     J. Smiatek, M. Sega, C. Holm, U.D. Schiller, F. Schmid, J. Chem. Phys. 130, 244702 (2009).
     doi: 10.1063/1.3152844
     
     
150. Toy amphiphiles on the computer: What can we learn from generic models? [.rXiv]
     F. Schmid, Macromol. Rapid Comm. 30, 741 (2009).
     doi: 10.1002/marc.200800750
     
     
151. Membrane-protein interactions in a generic coarse-grained model for lipid bilayers [.rXiv]
     B. West, F.L.H. Brown, F. Schmid, Biophys. Journal 96, 101 (2009).
     doi: 10.1529/biophysj.108.138677
     
     
152. Influence of correlations on molecular recognition [.rXiv]
     H. Behringer, F. Schmid, Phys. Rev. E 78, 031903 (2008).
     doi: 10.1103/PhysRevE.78.031903
     
     
153. Correlation effects in protein-protein recognition
     H. Behringer, F. Schmid, NIC-Series Vol. 40, 165-168 (2008).
     
     
154. Spontaneous formation of complex micelles from homogeneous solution [.rXiv]
     X. H. He, F. Schmid, Phys. Rev. Lett. 100, 137802 (2008).
     doi: 10.1103/PhysRevLett.100.137802
     
     
155. Effective protein interactions in a coarse-grained model for lipid membranes
     B. West, F. Schmid, NIC-Series Vol. 39, 271-278 (2008).
     
     
156. Kinetically driven helix formation during homopolymer collapse processes [.rXiv]
     S. A. Sabeur, F. Hamdache, F. Schmid, Phys. Rev. E 77, 020802(R) (2008).
     doi: 10.1103/PhysRevE.77.020802
     
     
157. Tunable-slip boundaries for coarse-grained simulations of fluid flow [.rXiv]
     J. Smiatek, M. P. Allen, F. Schmid, Eur. Phys. J. E 26, 115 (2008).
     doi: 10.1140/epje/i2007-10311-4
     
     
158. Coarse-grained lattice model for molecular recognition
     H. Behringer, A. Degenhard, F. Schmid, NIC-Series Vol. 36, 83-85 (2007).
     
     
159. Coarse-grained lattice model for investigating the role of cooperativity in molecular recognition [.rXiv]
     H. Behringer, A. Degenhard, F. Schmid, Phys. Rev. E 76, 031914 (2007).
     doi: 10.1103/PhysRevE.76.031914
     
     
160. A thermostat for molecular dynamics of complex fluids [.rXiv]
     M. P. Allen, F. Schmid, Mol. Simulations 33, 21 (2007).
     doi: 10.1080/08927020601052856
     
     
161. Fluctuating interfaces in liquid crystals [.rXiv]
     F. Schmid, G. Germano, S. Wolfsheimer, T. Schilling, Macromolecular Symposia 252, 110 (2007).
     doi: 10.1002/masy.200750611
     
     
162. Using prenucleation to control complex copolymeric vesicle formation in solution
     X. H. He, F. Schmid, Macromolecules 39, 8908 (2006).
     doi: 10.1021/ma0622478
     
     
163. A generic model for lipid monolayers, bilayers, and membranes [.rXiv]
     F. Schmid, D. Düchs, O. Lenz, B. West, Comp. Phys. Comm. 177, 168 (2006).
     doi: 10.1016/j.cpc.2007.02.066
     
     
164. Developing and analyzing idealized models for molecular recognition
     H. Behringer, T. Bogner, A. A. Polotsky, A. Degenhard, F. Schmid, J. Biotechnology 129, 268 (2006).
     doi: 10.1016/j.jbiotec.2007.01.035
     
     
165. Structure of symmetric and asymmetric ripple phases in lipid bilayers [.rXiv]
     O. Lenz, F. Schmid, Phys. Rev. Lett. 98, 058104 (2006).
     doi: 10.1103/PhysRevLett.98.058104
     
     
166. A coarse-grained lattice model for molecular recognition [.rXiv]
     H. Behringer, A. Degenhard, F. Schmid, Phys. Rev.lett. 97, 128101 (2006).
     doi: 10.1103/PhysRevLett.97.128101
     
     
167. Bistable anchoring of nematics on rough substrates [.rXiv]
     F. Schmid, D. L. Cheung, Europhys. Lett. 76, 243 (2006).
     doi: 10.1209/epl/i2006-10248-8
     
     
168. Stabilization of membrane pores by packing [.rXiv]
     D. Bicout, F. Schmid, E. Kats, Phys. Rev. E 73, 06101(R) (2006).
     doi: 10.1103/PhysRevE.73.060101
     
     
169. Dynamics of spontaneous vesicle formation in dilute solutions of amphiphilic diblock copolymers
     X. H. He, F. Schmid, Macromolecules 39, 2654 (2006).
     doi: 10.1021/ma052536g
     
     
170. Coarse-grained models of complex fluids at equilibrium and under shear [.rXiv]
     F. Schmid, in Computer Simulations in Condensed Matter: from Materials to Chemical Biology , Vol. 2, pp. 211-258, Eds. K. Binder, G. Ciccotti, M. Ferrario (Springer, Berlin). (2006).
     doi: 10.1007/3-540-35284-8_10
     
     
171. Isotropic-nematic transition in liquid crystals confined between rough walls [.rXiv]
     D. Cheung, F. Schmid, Chem. Phys. Lett. 418, 392 (2006).
     doi: 10.1016/j.cplett.2005.11.010
     
     
172. Approaching criticality in polymer/polymer systems
     C. Carelli, R. A. L. Jones, R. N. Young, R. Cubitt, R. Dalgliesh, F. Schmid, M. Sferrazza , Phys. Rev. E 72, 031807 (2005).
     doi: 10.1103/PhysRevE.72.031807
     
     
173. The effect of long-ranged and short-ranged forces in confined near-critical polymeric liquids
     C. Carelli, R. A. L. Jones, R. N. Young, R. Cubitt, R. Krastev, T. Gutberlet, R. Dalgliesh, F. Schmid, M. Sferrazza , Europhys. Lett. 71, 763 (2005).
     doi: 10.1209/epl/i2005-10162-7
     
     
174. Nematic-isotropic interfaces under shear: A Molecular Dynamics simulation [.rXiv]
     G. Germano, F. Schmid, J. Chem. Phys. 123, 214703 (2005).
     doi: 10.1063/1.2131065
     
     
175. Nematic liquid crystals at rough and fluctuating interfaces [.rXiv]
     J. Elgeti, F. Schmid, Eur. Phys. J. E 18, 407 (2005).
     doi: 10.1140/epje/e2005-00051-8
     
     
176. Fluctuations and defects in lamellar stacks of amphiphilic bilayers [.rXiv]
     C. Loison, M. Mareschal, F. Schmid, Comp. Phys. Comm. 169, 99 (2005).
     doi: 10.1016/j.cpc.2005.03.023
     
     
177. Monte Carlo simulations of liquid crystals near rough walls [.rXiv]
     D. Cheung, F. Schmid, J. Chem. Phys. 122, 074902 (2005).
     doi: 10.1063/1.1844495
     
     
178. Molecular recognition in a lattice model: An enumeration study [.rXiv]
     T. Bogner, A. Degenhard, F. Schmid, Phys. Rev. Lett. 93, 268108 (2005).
     doi: 10.1103/PhysRevLett.93.268108
     
     
179. Two-state migration of DNA in a structure microchannel [.rXiv]
     M. Streek, F. Schmid, T. T. Duong, D. Anselmetti, A. Ros , Phys. Rev. E 71, 011905 (2005).
     doi: 10.1103/PhysRevE.71.011905
     
     
180. Incorporating fluctuations and dynamics in self-consistent field theories for polymer blends [.rXiv]
     M. Müller, F. Schmid, in Advances in Polymer Science 185, pp. 1-85 (Springer Verlag, Berlin). (2005).
     doi: 10.1007/b136794
     
     
181. Polymer adsorption onto random planar surfaces: Interplay of polymer and surface correlations [.rXiv]
     A. A. Polotsky, F. Schmid, A. Degenhard, J. Chem. Phys. 121, 4853 (2004).
     doi: 10.1063/1.1778137
     
     
182. Formation and structure of the microemulsion phase in ternary AB + A + B polymeric emulsions [.rXiv]
     D. Düchs, F. Schmid, J. Chem. Phys. 121, 2798 (2004).
     doi: 10.1063/1.1768152
     
     
183. Pores in bilayer membranes of amphiphilic molecules: Coarse-grained molecular dynamics simulations compared with simple mesoscopic models [.rXiv]
     C. Loison, M. Mareschal, F. Schmid, J. Chem. Phys. 121, 1890 (2004).
     doi: 10.1063/1.1752884
     
     
184. A density functional theory study of the confined soft ellipsoid fluid [.rXiv]
     D. Cheung, F. Schmid, J. Chem. Phys. 120, 9185 (2004).
     doi: 10.1063/1.1703522
     
     
185. Influence of sequence correlations on the adsorption of random copolymers onto homogeneous planar surfaces [.rXiv]
     A. A. Polotsky, F. Schmid, A. Degenhard, J. Chem. Phys. 120, 6246 (2004).
     doi: 10.1063/1.1647045
     
     
186. A simple computer model for liquid lipid bilayers [.rXiv]
     O. Lenz, F. Schmid, J. Mol. Liquids 117, 147 (2004).
     doi: 10.1016/j.molliq.2004.08.008
     
     
187. Mechanisms of DNA separation in entropic trap arrays: A Brownian dynamics simulation [.rXiv]
     M. Streek, F. Schmid, T. T. Duong, A. Ros, J. Biotechnology 112, 79 (2004).
     doi: 10.1016/j.jbiotec.2004.04.021
     
     
188. Amphiphiles at interfaces: Simulation of structure and phase behavior [.rXiv]
     F. Schmid, D. Düchs, O. Lenz, C. Loison, in ``Computational Soft Matter: From Synthetic Polymers to Proteins'', Lecture Notes, NIC-Series Vol. 23, 323 (2004). (2004).
     
     
189. Fluctuations in polymer blends
     D. Düchs, F. Schmid, NIC-Series Vol. 20, 343 (2004).
     
     
190. Simulation of nematic-isotropic phase coexistence in liquid crystals under shear
     G. Germano, F. Schmid, NIC-Series Vol. 20, 311 (2004).
     
     
191. Size-dependent free solution DNA electrophoresis in structured microfluidic systems
     T. T. Duong, G. Kim, R. Ros, M. Streek, F. Schmid, J. Brugger, A. Ros, D. Anselmetti, , Microelectronic Engineering 67, 905 (2003).
     doi: 10.1016/S0167-9317(03)00153-9
     
     
192. Gel-free electrophoresis of lambda- and T2-DNA in structured microfluidic devices
     T. T. Duong, M. Streek, F. Schmid, A. Ros, D. Anselmetti, Proceedings of μ-TAS 2003 1, 749-752 (2003).
     
     
193. Fluctuation effects in ternary AB + A + B polymeric emulsions [.rXiv]
     D. Düchs, V. Ganesan, G. H. Fredrickson, F. Schmid , Macromolecules 36, 9237 (2003).
     doi: 10.1021/ma030201y
     
     
194. Thermal fluctuations in a lamellar phase of a binary amphiphile-solvent mixture: A molecular dynamics study [.rXiv]
     C. Loison, M. Mareschal, K.Kremer, F. Schmid, J. Chem. Phys. 119, 13138 (2003).
     doi: 10.1063/1.1626634
     
     
195. Local structure in nematic and isotropic liquid crystals [.rXiv]
     N. H. Phuong, F. Schmid, J. Chem. Phys. 119, 1214 (2003).
     doi: 10.1063/1.1577322
     
     
196. Density functional for anisotropic fluids [.rXiv]
     G. Cinacchi, F. Schmid, J. Phys.: Cond. Matter 13, 12223 (2003).
     doi: 10.1088/0953-8984/14/46/323
     
     
197. Simulation of liquid crystals: Bulk structure and interfacial properties
     N. Akino, G. Germano, N.H. Phuong, F. Schmid, M. P. Allen, NIC-Series Vol. 9, 335 (2002).
     doi: 10.1063/1.1481375
     
     
198. Surface anchoring on layers of grafted liquid-crystalline chain molecules: A computer simulation [.rXiv]
     H. Lange, F. Schmid, J. Chem. Phys. 117, 362 (2002).
     doi: 10.1063/1.1481375
     
     
199. Spatial order in liquid crystals: Computer simulations of systems of ellipsoids [.rXiv]
     F. Schmid, N. H. Phuong, in ``Morphology of Condensed Matter: Physics and Geometry of Spatially Complex Systems'', p. 172, Lecture Notes in Physics, K. Mecke and D. Stoyan Eds., Springer Verlag (2002).
     doi: 10.1007/3-540-45782-8_7
     
     
200. An anchoring transition at surfaces with grafted liquid-crystalline chain molecules [.rXiv]
     H. Lange, F. Schmid, Eur. Phys. J. E 7, 175 (2002).
     doi: 10.1140/epje/i200101098
     
     
201. Wetting of a symmetrical binary fluid on a wall
     N. Wilding, F. Schmid, Comp. Phys. Comm. 147, 149 (2002).
     doi: 10.1103/PhysRevE.63.031201
     
     
202. Surface anchoring on liquid crystalline polymer brushes [.rXiv]
     H. Lange, F. Schmid, Comp. Phys. Comm. 147, 276 (2002).
     doi: 10.1016/S0010-4655(02)00260-6
     
     
203. The direct correlation function in nematic liquid crystals from computer simulations
     N. H. Phuong, G. Germano, F. Schmid, Comp. Phys. Comm. 147, 350 (2002).
     doi: 10.1016/S0010-4655(02)00302-8
     
     
204. Elastic constants from direct correlation functions in nematic liquid crystals: A computer simulation study [.rXiv]
     N. H. Phuong, G. Germano, F. Schmid, J. Chem. Phys. 115, 7227 (2001).
     doi: 10.1063/1.1404388
     
     
205. Critical phenomena at the surface of systems undergoing a bulk first order transition: Are they understood?
     K. Binder, F. F. Haas, F. Schmid, "Computer Simulation Studies in Condensed Matter Physics" XIV, p. 85-96, Eds. D. P. Landau, S. P. Lewis, and H. B. Schüttler (Springer, Heidelberg) (2001).
     doi: 10.1007/978-3-642-59406-9_13
     
     
206. Phase behavior of amphiphilic monolayers: Theory and simulation [.rXiv]
     D. Düchs, F. Schmid, J. Phys.: Cond. Matter 13, 4853 (2001).
     doi: 10.1088/0953-8984/13/21/313
     
     
207. Molecular dynamics study of the nematic-isotropic interface [.rXiv]
     N. Akino, F. Schmid, M. P. Allen, Phys. Rev. E 63, 041706 (2001).
     doi: 10.1103/PhysRevE.63.041706
     
     
208. Computer simulations of self-assembled monolayers
     F. Schmid, C. Stadler, D. Düchs, J. Phys.: Cond. Matter 13, 8653 (2001).
     doi: 10.1088/0953-8984/13/38/308
     
     
209. Wetting of a symmetrical binary fluid mixture on a wall [.rXiv]
     F. Schmid, N. B. Wilding, Phys. Rev. E 63, 031201 (2001).
     doi: 10.1016/S0010-4655(02)00234-5
     
     
210. "Intrinsic" profiles and capillary waves at interfaces between coexisting phases in polymer blends
     K. Binder, M. Müller, F. Schmid, Adv. in Coll. Interf. Science 94, 237 (2001).
     doi: 10.1016/S0001-8686(01)00064-1
     
     
211. Surface tension of the isotropic-nematic interface [.rXiv]
     A. J. McDonald, M. P. Allen, F. Schmid, Phys. Rev. E 63, 010701(R) (2001).
     doi: 10.1103/PhysRevE.63.010701
     
     
212. Surface induced disorder in body-centered cubic alloys [.rXiv]
     F. F. Haas, F. Schmid, K. Binder, Phys. Rev. B 61, 15077 (2000).
     doi: 10.1103/PhysRevB.61.15077
     
     
213. Order and disorder phenomena at surfaces of binary alloys [.rXiv]
     F. F. Haas, F. Schmid, K. Binder, in ''Properties of Inorganic Solids 2'', 77, Kluwer Academic, New York (2000).
     doi: 10.1007/978-1-4615-1205-9_7
     
     
214. Systems involving surfactants [.rXiv]
     F. Schmid, Chapter 13 of ''Computational methods in colloid and interface science'', p. 631, M. Borowko Edt., Marcel Dekker Inc. (2000).
     doi: 10.1201/9780429115813
     
     
215. Phase behavior of grafted chain molecules: Effect of head size and chain length [.rXiv]
     C. Stadler, F. Schmid, J. Chem. Phys. 110, 9697 (1999).
     doi: https://doi.org/10.1063/1.478934
     
     
216. Short grafted chains: Monte Carlo simulations of a model for monolayers of amphiphiles [.rXiv]
     C. Stadler, H. Lange, F. Schmid, Phys. Rev. E 59, 4248 (1999).
     doi: 10.1103/PhysRevE.59.4248
     
     
217. How simulations can clarify phase transitions of complex materials
     K. Binder, M. Müller, F. Schmid, Computing in Science and Engineering 1, Vol. 3, 10 (1999).
     doi: 10.1109/5992.764209
     
     
218. Interfacial profiles between coexisting phases in thin films: Cahn Hilliard treatment versus capillary waves [.rXiv]
     K. Binder, M. Müller, F. Schmid, A. Werner, J. Stat. Phys. 95, 1045 (1999).
     doi: 10.1023/A:1004510702716
     
     
219. Monte Carlo simulations of copolymers at homopolymer interfaces: Interfacial structure as a function of the copolymer density [.rXiv]
     A. Werner, F. Schmid, M. Müller, J. Chem. Phys. 110, 5370 (1999).
     doi: 10.1063/1.478432
     
     
220. Intrinsic profiles and capillary waves at homopolymer interfaces: A Monte Carlo study [.rXiv]
     A. Werner, F. Schmid, M. Müller, K. Binder, Phys. Rev. E 59, 728 (1999).
     doi: 10.1103/PhysRevE.59.728
     
     
221. Effect of long range forces on the interfacial profiles in thin binary polymer films [.rXiv]
     A. Werner, M. Müller, F. Schmid, K. Binder, J. Chem. Phys. 110, 1221 (1999).
     doi: 10.1063/1.478164
     
     
222. Self-consistent field theories for complex fluids [.rXiv]
     F. Schmid, J. Phys.: Cond. Metter 10, 8105 (1998).
     doi: 10.1088/0953-8984/10/37/002
     Invited topical review
     
     
223. Interfaces in immiscible polymer blends: A Monte Carlo simulation approach on the CRAY T3E
     A. WErne, M. Müller, F. Schmid, K. Binder, in High Performance Computing in Science and Engineering, 176, E.Kramer and W. Jäger (Eds), Springer Verlag (1998).
     doi: 10.1007/978-3-642-58600-2_19
     
     
224. Monte Carlo simulations of interfaces in polymer blends [.rXiv]
     M. Müller, F. Schmid, Annual Reviews in Computational Physics VI, pp. 59-127, D. Stauffer Edt., World Scientific, Singapore (1999). (1998).
     doi: 10.1142/9789812815569_0003
     
     
225. Liquid-vapour phase behaviour of a symmetrical binary mixture [.rXiv]
     N. B. Wilding, F. Schmid, P. Nielaba, Phys. Rev. E 58, 2201 (1998).
     doi: 10.1103/PhysRevE.58.2201
     
     
226. Simulation of interfaces between coexisting phases in materials
     K. Binder, M. Müller, F. Schmid, A. Werner, J. Computer aided Materials Design 4, 137 (1998).
     doi: 10.1023/A:1008631902826
     
     
227. Theoretical modeling of Langmuir monolayers [.rXiv]
     F. Schmid, C. Stadler, H. Lange, Colloids and Surfaces A 149, 301 (1998).
     doi: 10.1016/S0927-7757(98)00315-X
     
     
228. Interfaces between coexisting phases in polymer mixtures: What can we learn from Monte Carlo simulations?
     K. Binder, M. Müller, F. Schmid, A. Werner, Macromolecular Symposia 138, 1 (1998).
     doi: 10.1002/masy.19991390102
     
     
229. Interfaces in partly compatible polymer mixtures: A Monte Carlo simulation [.rXiv]
     K. Binder, M. Müller, F. Schmid, A. Werner, Physica A 249, 293 (1998).
     doi: 10.1016/S0378-4371(97)00477-9
     
     
230. Monte Carlo simulation of Langmuir monolayer models
     F. Schmid, C. Stadler, H. Lange, Computer Simulations in Condensed Matter Physics X, p. 37, D. Landau, K.K. Mon, H.B. Schüttler Eds., Springer, Heidelberg (1998).
     doi: 10.1007/978-3-642-46851-3_4
     
     
231. Was kann die Computersimulation für die Materialwissenschaft leisten?
     K. Binder, W. Kob, M. Müller, P. Nielaba, W. Paul, F. Schmid, in ``Forschungsmagazin der Johannes-Gutenberg Universität Mainz'' 13, 6 (1997). (1997).
     
     
232. Anomalous size-dependence of interfacial profiles between coexisting phases of polymer mixtures in thin film geometry: A Monte Carlo simulation [.rXiv]
     A. Werner, F. Schmid, M. Müller, K. Binder, J. Chem. Phys. 107, 8175 (1997).
     doi: 10.1063/1.475118
     
     
233. Influence of the head group size on the direction of tilt in Langmuir monolayers [.rXiv]
     F. Schmid, H. Lange, J. Chem. Phys. 106, 3757 (1997).
     doi: 10.1063/1.473426
     
     
234. Stabilization of tilt order by chain flexibility in Langmuir monolayers [.rXiv]
     F. Schmid, Phys. Rev. E 55, 5774 (1997).
     doi: 10.1103/PhysRevE.55.5774
     
     
235. Simulation von Phasengrenzflächen in Polymermischungen
     F. Schmid, M. Müller, A. Werner, K. Binder, Freiberger Forschungshefte B 279, 201 (1996).
     
     
236. Diblock copolymers at a homopolymer-homopolymer interface: A Monte Carlo simulation [.rXiv]
     A. Werner, F. Schmid, K. Binder, M. Müller, Macromolecules 29, 8241 (1996).
     doi: 10.1021/ma960614h
     
     
237. Grafted rods: A tilting phase transition [.rXiv]
     F. Schmid, D. Johannsmann, A. Halperin, J. Physique II 6, 1331 (1996).
     doi: 10.1051/jp2:1996134
     
     
238. A self consistent field approach to surfaces of compressible polymer blends [.rXiv]
     F. Schmid, J. Chem. Phys. 104, 9191 (1996).
     doi: 10.1063/1.471610
     
     
239. Surface ordering and surface segregation in binary alloys
     F. Schmid, in "Stability of Materials", 173, NATO-ASI Series (1996). (1996).
     doi: 10.1007/978-1-4613-0385-5_7
     
     
240. Errors in Monte Carlo simulations using shift register random number generators [.rXiv]
     F. Schmid, N. Wilding, Intn. J. Mod. Phys. C 6, 781 (1995).
     doi: 10.1142/S0129183195000642
     
     
241. Quantitative comparison of self consistent field theories for polymers near interfaces with Monte Carlo simulations
     F. Schmid, M. Müller, Macromolecules 28, 8639 (1995).
     doi: 10.1021/ma00129a024
     
     
242. Effect of fluctuations on the wetting transition in amphiphilic systems
     F. Schmid, M. Schick, J. Chem. Phys. 102, 7197 (1995).
     doi: 10.1063/1.469114
     
     
243. Effect of capillary wave fluctuations on wetting transitions in balanced amphiphilic systems
     F. Schmid, M. Schick, Zeitschr. f. Physik B 97, 189 (1995).
     doi: 10.1007/BF01307469
     
     
244. Liquid phases in Langmuir monolayers
     F. Schmid, M. Schick, J. Chem. Phys. 102, 2080 (1995).
     doi: 10.1063/1.468729
     
     
245. Spinodal phase separation in complex fluids
     F. Schmid, R. Blossey, J. Physique II (France) 4, 1195 (1994).
     doi: 10.1051/jp2:1994194
     
     
246. Monte Carlo study of interfacial properties in an amphiphilic system
     F. Schmid, M. Schick, Phys. Rev. E 49, 494 (1994).
     doi: 10.1103/PhysRevE.49.494
     
     
247. Phase transitions in a confined complex fluid
     F. Schmid, M. Schick, Phys. Rev. E 48, 1882 (1993).
     doi: 10.1103/PhysRevE.48.1882
     
     
248. Surface order in body-centered cubic alloys
     F. Schmid, Zeitschrift f. Physik B 91, 77 (1993).
     doi: 10.1007/BF01316711
     
     
249. Monte Carlo simulations of body centered cubic alloys
     F. Schmid, K. Binder, in "Metallic Alloys: Theoretical and Experimental Perspectives", 261, NATO-ASI Series (1992).
     doi: 10.1007/978-94-011-1092-1_29
     
     
250. Monte Carlo investigation of interface roughening in a bcc-based binary alloy
     F. Schmid, K. Binder, Phys. Rev. B 46, 13565 (1992).
     doi: 10.1103/PhysRevB.46.13565
     
     
251. Rough interfaces in a bcc-based binary alloy
     F. Schmid, K. Binder, Phys. Rev. B 46, 13553 (1992).
     doi: 10.1103/PhysRevB.46.13553
     
     
252. Modelling order-disorder and magnetic transitions in iron-aluminium alloys
     F. Schmid, K. Binder, J. Phys.: Cond. Matter 4, 3569 (1992).
     doi: 10.1088/0953-8984/4/13/019
     
     
253. Lattice-distortion-mediated local jumps of hydrogen in niobium from diffuse neutron scattering
     H. Dosch, F. Schmid, P. Wiethoff, J. Peisl, Phys. Rev. B 46, 55 (1992).
     doi: 10.1103/PhysRevB.46.55
     
     

Winter term 2025/2026

Current Teaching Activities

• Quantum Mechanics
      (Monday 10-12, KPH, Wednesday 12-14, N6)

Lecture Notes (mostly German)

• Mathematische Rechenmethoden (German)
• Theoretische Mechanik (German)
• Elektrodynamik und Relativitätstheorie (German)
• Quantenmechanik (German)
  Anhang Geschichte der Quantenmechanik (German)
• Thermodynamik und Statistische Physik (German)
• Advanced Statistical Mechanics (English)

Links to previous activities (selected)

Master Seminar: Biological Physics in SS 2018