Preprints

The following list contains links to preprints. Sometimes (in case of full open access) reprints are taken instead.

• Phase diagrams of alloys and adsorbed monolayers: Some recent results
  by B. Dünweg, S. Kämmerer, and M. Presber, in Computer Simulation Studies in Condensed Matter Physics IX (D. P. Landau, K. K. Mon, H.-B. Schüttler, eds.), Springer Proceedings in Physics 82, Springer-Verlag 1997, p. 5.
• Molecular Dynamics simulations of polymer systems
  by B. Dünweg, G. S. Grest, and K. Kremer, in Numerical Methods for Polymeric Systems (S. G. Whittington, ed.), IMA Volumes in Mathematics and its Applications 102, Springer-Verlag 1998, p. 159.
• Multiple time step integrators and momentum conservation
  by A. Kopf, W. Paul, and B. Dünweg, Computer Physics Communications 101, 1 (1997).
• Considerations on correlations in shift-register pseudorandom number generators and their removal
  by A. Heuer, B. Dünweg, and A. M. Ferrenberg, Computer Physics Communications 103, 1 (1997).
• Source code of the improved shift-register generator described there
  (in C, fully vectorized version) - NO WARRANTY!
• Dynamics of polymer "isotope" mixtures: Molecular Dynamics simulation and Rouse model analysis
  by A. Kopf, B. Dünweg, and W. Paul, J. Chem. Phys. 107, 6945 (1997).
• Parallel simulation of polymers on the Cray T3E
  by M. Pütz, A. Kolb, and B. Dünweg, in "Supercomputer 1997" (H.-W. Meuer, ed.), K. G. Saur Verlag München, 1997, p. 94. erratum
• Molecular-dynamics simulations of the thermal glass transition in polymer melts: alpha-relaxation behavior
  by Ch. Bennemann, W. Paul, K. Binder, and B. Dünweg, Phys. Rev. E 57, 843 (1998).
• Monte Carlo studies of adsorbed monolayers: Lattice-gas models with translational degrees of freedom
  by M. Presber, B. Dünweg, and D. P. Landau, Phys. Rev. E 58, 2616 (1998).
• Lattice Boltzmann simulation of polymer-solvent systems
  by P. Ahlrichs and B. Dünweg, proceedings of the 7th international conference on discrete simulations of fluids, Oxford, July 1998, International Journal of Modern Physics C 9, 1429 (1998).
• Computer simulation studies of a single polyelectrolyte chain in poor solvent
  by A. V. Lyulin, B. Dünweg, O. V. Borisov, and A. A. Darinskii, Macromolecules 32, 3264 (1999).
  click here to access the free journal version
• Optimized constant pressure stochastic dynamics
  by A. Kolb and B. Dünweg, Journal of Chemical Physics 111, 4453 (1999).
• Simulation of a single polymer chain in solution by combining lattice Boltzmann and Molecular Dynamics
  by P. Ahlrichs and B. Dünweg, Journal of Chemical Physics 111, 8225 (1999).
• Adsorption of a polyelectrolyte chain on a charged surface: A Monte Carlo simulation of scaling behavior
  by V. Yamakov, A. Milchev, O. Borisov and B. Dünweg, Journal of Physics: Condensed Matter 11, 9907 (1999).
• Conformations of random polyampholytes
  by V. Yamakov, A. Milchev, H.-J. Limbach, B. Dünweg and R. Everaers, Physical Review Letters 85, 4305 (2000).
• Parallel excluded volume tempering for polymer melts
  by A. Bunker and B. Dünweg, Physical Review E 63, 016701 (2001).
• Screening of hydrodynamic interactions in semidilute polymer solutions: A computer simulation study
  by P. Ahlrichs, R. Everaers and B. Dünweg, Physical Review E 64, 040501(R) (2001).
• Simulation of the dynamics of polymers in solution via a hybrid Molecular Dynamics - lattice Boltzmann scheme
  by B. Dünweg, P. Ahlrichs, and R. Everaers, in Computer Simulation Studies in Condensed Matter Physics XIV (D. P. Landau, S. P. Lewis, H.-B. Schüttler, eds.), Springer-Verlag 2001.
• Computersimulationen zu Phasenübergängen und kritischen Phänomenen
  by B. Dünweg (Habilitationsschrift 2000, in German).
• Computing phase equilibria by parallel excluded volume tempering
  by Thijs J. H. Vlugt and B. Dünweg, Journal of Chemical Physics 115, 8731 (2001).
• A generic computer model for amphiphilic systems
  by T. Soddemann, B. Dünweg and K. Kremer, European Physical Journal E 6, 409 (2001).
• Corrections to scaling in the hydrodynamic properties of dilute polymer solutions
  by B. Dünweg, D. Reith, M. Steinhauser, and K. Kremer, Journal of Chemical Physics 117, 914 (2002).
• Translational diffusion of polymer chains with excluded volume and hydrodynamic interactions by Brownian Dynamics simulation
  by B. Liu and B. Dünweg, Journal of Chemical Physics 118, 8061 (2003).
• Dissipative Particle Dynamics: A useful thermostat for equilibrium and nonequilibrium Molecular Dynamics simulations
  by T. Soddemann, B. Dünweg, and K. Kremer, Physical Review E 68, 046702 (2003).
• Langevin methods
  by B. Dünweg, in Computer simulations of surfaces and interfaces, proceedings of the NATO Advanced Study Institute / Euroconference, Albena, Bulgaria, September 2002, edited by B. Dünweg, D. P. Landau, and A. I. Milchev, Kluwer Academic Publishers, Dordrecht / Boston / London (2003).
• Accelerated algorithms 2
  by B. Dünweg, in Computer simulations of surfaces and interfaces, proceedings of the NATO Advanced Study Institute / Euroconference, Albena, Bulgaria, September 2002, edited by B. Dünweg, D. P. Landau, and A. I. Milchev, Kluwer Academic Publishers, Dordrecht / Boston / London (2003).
• Boundary slip as a result of a prewetting transition
  by D. Andrienko, B. Dünweg, and O. I. Vinogradova, Journal of Chemical Physics 119, 13106 (2003).
• Shear-induced undulations of smectic-A: Molecular Dynamics simulations vs. analytical theory
  by T. Soddemann, G. K. Auernhammer, H. X. Guo, B. Dünweg, and K. Kremer, European Physical Journal E e2004-00045-0 (2004).
• A new model for simulating colloidal dynamics
  by V. Lobaskin and B. Dünweg, New Journal of Physics 6, 54 (2004).
• Advanced simulations for hydrodynamic problems: Lattice Boltzmann and Dissipative Particle Dynamics
  by B. Dünweg, in "Computational soft matter: From synthetic polymers to proteins", edited by N. Attig, K. Binder, H. Grubmüller and K. Kremer, NIC Series volume 23, ISBN 3-00-012641-4, Jülich 2004. IMPROVED AND EXTENDED VERSION AVAILABLE BELOW (ERICE SCHOOL).
• Coulomb interactions via local dynamics: A Molecular-Dynamics algorithm
  by I. Pasichnyk and B. Dünweg, Journal of Physics: Condensed Matter 16, S3999 (2004).
• Electrophoretic mobility of a charged colloidal particle: A computer simulation study
  by V. Lobaskin, Burkhard Dünweg and C. Holm, Journal of Physics: Condensed Matter 16, S4063 (2004).
• Non-Fickian interdiffusion of dynamically asymmetric species: A molecular dynamics study
  by Jacqueline Yaneva, Burkhard Dünweg and Andrey Milchev, Journal of Chemical Physics 122, 204105 (2005).
• Suppression of capillary wave broadening of interfaces in binary alloys due to elastic interactions
  by B. J. Schulz, Burkhard Dünweg, K. Binder and M. Müller, Physical Review Letters 95, 096101 (2005).
• Critical behavior of an elastic Ising antiferromagnet at constant pressure
  by Xiaoliang Zhu, F. Tavazza, D. P. Landau, and Burkhard Dünweg, Physical Review B 72, 104102 (2005).
• Mesoscopic simulations for problems with hydrodynamics, with emphasis on polymer dynamics
  by Burkhard Dünweg, in "Computer simulations in condensed matter: From materials to chemical biology", Lecture Notes in Physics 704, 309 (2006), edited by M. Ferrario, G. Ciccotti and K. Binder, Springer-Verlag 2006. This is an extended and updated version of the NIC school contribution (2004).
• Computer simulations of the dynamics of polymer solutions
  by Burkhard Dünweg, in the proceedings of the conference "Multiscale materials modeling", P. Gumbsch (ed.), Fraunhofer IRB Verlag, 2006. The "official" version has appeared in Journal of Computer-Aided Materials Design 14, 259 (2007).
• Electrophoresis of colloidal dispersions in the low-salt regime
  by V. Lobaskin, Burkhard Dünweg, M. Medebach, T. Palberg, and C. Holm, Physical Review Letters 98, 176105 (2007).
• Statistical mechanics of the fluctuating lattice Boltzmann equation
  by Burkhard Dünweg, U. D. Schiller, and A. J. C. Ladd, Physical Review E 76, 036704 (2007).
• Lattice Boltzmann simulations of soft matter systems
  by Burkhard Dünweg and A. J. C. Ladd, Advances in Polymer Science 221, 89 (2009).
• Colloidal electrophoresis: Scaling analysis, Green-Kubo relation, and numerical results
  by Burkhard Dünweg, V. Lobaskin, K. Seethalakshmy-Hariharan, and C. Holm, Journal of Physics: Condensed Matter 20, 404214 (2008).
• Progress in the understanding of the fluctuating lattice Boltzmann equation
  by Burkhard Dünweg, U. D. Schiller, and A. J. C. Ladd, Computer Physics Communications 180, 605 (2009).
• Multiscale modelling strategy using the lattice Boltzmann method for polymer dynamics in a turbulent flow
  by Jonghoon Lee, Burkhard Dünweg, Jörg Schumacher, Computers & Mathematics with Applications 59, 2374 (2010).
• Simple and robust solver for the Poisson-Boltzmann equation
  by M. Baptista, R. Schmitz, B. Dünweg, Physical Review E 80, 016705 (2009).
• Computer simulations of systems with hydrodynamic interactions: The coupled Molecular Dynamics - lattice Boltzmann approach
  by B. Dünweg, lecture notes of the 2009 NIC spring school, in "Multiscale Simulation Methods in Molecular Sciences", edited by J. Grotendorst, N. Attig, S. Blügel and D. Marx, NIC Series Volume 42, ISBN 978-3-9810843-8-2, Jülich 2009.
• Implicit and explicit solvent models for the simulation of a single polymer chain in solution: Lattice Boltzmann vs Brownian dynamics
  by Tri T. Pham, Ulf D. Schiller, J. Ravi Prakash, and B. Dünweg, Journal of Chemical Physics 131, 164114 (2009).
• Collapse dynamics of copolymers in a poor solvent: Influence of hydrodynamic interactions and chain sequence
  by Tri T. Pham, B. Dünweg, and J. Ravi Prakash, Macromolecules 43, 10084 (2010).
• Studying flow close to an interface by Total Internal Reflection Fluorescence Cross Correlation Spectroscopy: Quantitative data analysis
  by R. Schmitz, S. Yordanov, H.-J. Butt, K. Koynov, and B. Dünweg, Physical Review E 84, 066306 (2011).
• Coupling Molecular Dynamics and Lattice Boltzmann to simulate Brownian motion with hydrodynamic interactions
  by B. Dünweg, lecture notes of the 2012 NIC spring school (2012).
• Numerical electrokinetics
  by R. Schmitz and B. Dünweg, Journal of Physics: Condensed Matter 24, 464111 (2012).
• Optimisation of a Brownian dynamics algorithm for semidilute polymer solutions
  by A. Jain, P. Sunthar, B. Dünweg, J. Ravi Prakash, Physical Review E 85, 066703 (2012).
• Dynamic crossover scaling in polymer solutions
  by A. Jain, B. Dünweg, J. Ravi Prakash, Physical Review Letters 109, 088302 (2012).
• Conference report on the meeting "Fluid-structure interactions in soft-matter systems: From the mesoscale to the macroscale (Prato, 2012)"
  by J. Zelko, J. Ravi Prakash, and B. Dünweg, Applied Rheology 23, 124 (2013).
• Hydrodynamic boundary condition of water on hydrophobic surfaces
  by D. Schaeffel, S. Yordanov, M. Schmelzeisen, T. Yamamoto, M. Kappl, R. Schmitz, B. Dünweg, H.-J. Butt, and K. Koynov, Physical Review E 87, 051001(R) (2013).
• Dynamic and dielectric response of charged colloids in electrolyte solutions to external electric fields
  by J. Zhou, R. Schmitz, B. Dünweg, and F. Schmid, Journal of Chemical Physics 139, 024901 (2013).
• Computer simulation of electrokinetics in colloidal systems
  by R. Schmitz, V. Starchenko, and B. Dünweg, European Physical Journal ST 222, 2873 (2013).
• Size, shape and diffusivity of a single Debye-Hückel polyelectrolyte chain in solution
  by W. Chamath Soysa, B. Dünweg, and J. Ravi Prakash, Journal of Chemical Physics 143, 064906 (2015).
• The Cassie-Wenzel transition of fluids on nanostructured substrates: Macroscopic force balance versus microscopic density-functional theory
  by N. Tretyakov, P. Papadopoulos, D. Vollmer, H-J. Butt, B. Dünweg, and K. Ch. Daoulas, Journal of Chemical Physics 145, 134703 (2016).
• Modern simulation approaches in soft matter science: From fundamental understanding to industrial applications
  by L. Delle Site, M. Deserno, B. Dünweg, C. Holm, C. Peter, and H. Pleiner, European Physical Journal ST 225, 1317 (2016; editorial of a "Festschrift" on the occasion of Kurt Kremer's 60th birthday).
• Conference report on the meeting "Hydrodynamic fluctuations in soft-matter simulations (Prato, 2016)"
  by B. Dünweg and J. Ravi Prakash, Applied Rheology 26, issue 5, p. 51 (2016).
• High-precision estimate of the hydrodynamic radius for self-avoiding walks
  by N. Clisby and B. Dünweg, Physical Review E 94, 052102 (2016, Editor's Suggestion).
• Equilibrium binding energies from fluctuation theorems and force spectroscopy simulations
  by E. Hodges, B. M. Cooke, E. M. Sevick, D. J. Searles, B. Dünweg, and J. Ravi Prakash, Soft Matter 12, 9803 (2016).
• An improved dissipative coupling scheme for a system of Molecular Dynamics particles interacting with a Lattice Boltzmann fluid
  by N. Tretyakov and B. Dünweg, Computer Physics Communications 216, 102 (2017).
• Energy-stable numerical schemes for multiscale simulations of polymer–solvent mixtures
  by M. Lukacova-Medvidova, B. Dünweg, P. Strasser, and N. Tretyakov, In: P. van Meurs, M. Kimura, H. Notsu (eds): Mathematical Analysis of Continuum Mechanics and Industrial Applications II. CoMFoS 2016. Mathematics for Industry, vol 30. Springer, Singapore (2018).
• Energy-stable linear schemes for polymer-solvent phase field models
  by P. Strasser, G. Tierra, B. Dünweg and M. Lukacova-Medvidova, Computers & Mathematics with Applications 77, 125 (2019), link to online version.
• Shear thinning in dilute and semidilute solutions of polystyrene and DNA
  by S. Pan, D. At Nguyen, B. Dünweg, P. Sunthar, T. Sridhar and J. Ravi Prakash, Journal of Rheology 62, 845 (2018).
• Polymer solutions
  by B. Dünweg, Handbook of Materials Modeling (2nd edition), Volume 1: Methods: Theory and Modeling, edited by Wanda Andreoni and Sidney Yip; Springer (2018), original Springer link
• Universality of the collapse transition of sticky polymers
  by A. Santra, K. Kumari, R. Padinhateeri, B. Dünweg and J. Ravi Prakash, Soft Matter 15, 7876 (2019).
• Computing 3D chromatin configurations from contact probability maps by Inverse Brownian Dynamics
  by K. Kumari, B. Dünweg, R. Padinhateeri and J. Ravi Prakash, Biophysical Journal 18, 2193 (2020).
• Semi-automatic construction of Lattice Boltzmann models
  by D. Spiller and B. Dünweg, Physical Review E 101, 043310 (2020).
• Analysis of a viscoelastic phase separation model
  by A. Brunk, B. Dünweg, H. Egger, O. Habrich, M. Lukacova-Medvidova and D. Spiller, Journal of Physics: Condensed Matter 33, 234002 (2021).
• Comparing equilibration schemes of high-molecular-weight polymer melts with topological indicators,
  by L. Tubiana, H. Kobayashi, R. Potestio, B. Dünweg, K. Kremer, P. Virnau, and K. Daoulas, Journal of Physics: Condensed Matter 33, 204003 (2021).
• Universal scaling and characterisation of gelation in associative polymer solutions,
  by A. Santra, B. Dünweg and J. Ravi Prakash, Journal of Rheology 65, 549 (2021).
• Systematic derivation of hydrodynamic equations for viscoelastic phase separation,
  by D. Spiller, A. Brunk, O. Habrich, H. Egger, M. Lukacova-Medvidova and B. Dünweg, Journal of Physics: Condensed Matter 33, 364001 (2021).