Publications

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This page lists the publications of our working group.

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Peer-reviewed articles

2020

    • Zeman, Johannes and Holm, Christian and Smiatek, Jens.
      "The Effect of Small Organic Cosolutes on Water Structure and Dynamics".
      Journal of Chemical & Engineering Data 65(3)(1197–1210), 2020.
      [PDF] (2 MB) [DOI]


2019

    • L. Arens and D. Barther and J. Landsgesell and C. Holm and M. Wilhelm.
      "Poly(sodium acrylate) hydrogels: synthesis of various network architectures, local molecular dynamics, salt partitioning, desalination and simulation".
      Soft Matter 15(9949–9964), 2019.
      [PDF] (6 MB) [DOI]
    • Landsgesell, Jonas and Holm, Christian.
      "Cell Model Approaches for Predicting the Swelling and Mechanical Properties of Polyelectrolyte Gels".
      Macromolecules 52(23)(9341-9353), 2019.
      [PDF] (3 MB) [DOI]
    • Sánchez, Pedro A. and Vögele, Martin and Smiatek, Jens and Qiao, Baofu and Sega, Marcello and Holm, Christian.
      "Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri- and tetra-layer systems".
      Soft Matter 15(9437–9451), 2019.
      [PDF] (7 MB) [DOI]
    • Landsgesell, Jonas and Sean, David and Kreissl, Patrick and Szuttor, Kai and Holm, Christian.
      "Modeling Gel Swelling Equilibrium in the Mean Field: From Explicit to Poisson-Boltzmann Models".
      Physical Review Letters 122(208002), 2019.
      [PDF] (500 KB) [DOI]
    • Lee, Miru and Szuttor, Kai and Holm, Christian.
      "A computational model for bacterial run-and-tumble motion".
      The Journal of Chemical Physics 150(174111), 2019.
      [PDF] (2 MB) [DOI]
    • Weeber, Rudolf and Nestler, Franziska and Weik, Florian and Pippig, Michael and Potts, Daniel and Holm, Christian.
      "Accelerating the calculation of dipolar interactions in particle based simulations with open boundary conditions by means of the P2NFFT method".
      Journal of Computational Physics 391, 2019.
      [PDF] (12 MB) [DOI]
    • Weik, Florian and Szuttor, Kai and Landsgesell, Jonas and Holm, Christian.
      "Modeling the current modulation of dsDNA in nanopores – from mean-field to atomistic and back".
      European Physical Journal Special Topics 227(14)(1639–1655), 2019.
      [PDF] (576 KB) [DOI]
    • Holm, Christian and Ertl, Thomas and Schmauder, Siegfried and Kästner, Johannes and Gross, Joachim.
      "Particle methods in natural science and engineering".
      European Physical Journal Special Topics 227(14)(1493–1499), 2019.
      [PDF] (124 KB) [DOI]
    • Weik, Florian and Weeber, Rudolf and Szuttor, Kai and Breitsprecher, Konrad and de Graaf, Joost and Kuron, Michael and Landsgesell, Jonas and Menke, Henri and Sean, David and Holm, Christian.
      "ESPResSo 4.0 – an extensible software package for simulating soft matter systems".
      European Physical Journal Special Topics 227(14)(1789–1816), 2019.
      [PDF] (2 MB) [DOI]
    • Landsgesell, Jonas and Nova, Lucie and Rud, Oleg and Uhlik, Filip and Sean, David and Hebbeker, Pascal and Holm, Christian and Košovan, Peter.
      "Simulations of ionization equilibria in weak polyelectrolyte solutions and gels".
      Soft Matter 15(6)(1155-1185), 2019.
      [PDF] (7 MB) [DOI]
    • Sean, David and Landsgesell, Jonas and Holm, Christian.
      "Influence of weak groups on polyelectrolyte mobilities".
      Electrophoresis 40(5)(799–809), 2019.
      [PDF] (994 KB) [DOI]
    • Weeber, Rudolf and Kreissl, Patrick and Holm, Christian.
      "Studying the field-controlled change of shape and elasticity of magnetic gels using particle-based simulations".
      Archive of Applied Mechanics 89(1)(3–16), 2019.
      [PDF] (3 MB) [DOI] [URL]
    • Michael Kuron and Philipp Stärk and Christian Burkard and Joost de Graaf and Christian Holm.
      "A lattice Boltzmann model for squirmers".
      The Journal of Chemical Physics 150(144110), 2019.
      [PDF] (2 MB) [DOI]
    • Kuron, Michael and Stärk, Philipp and Holm, Christian and de Graaf, Joost.
      "Hydrodynamic mobility reversal of squirmers near flat and curved surfaces".
      Soft Matter 15(5908–5920), 2019.
      [PDF] (5 MB) [DOI]


2018

    • Breitsprecher, Konrad and Holm, Christian and Kondrat, Svyatoslav.
      "Charge Me Slowly, I Am in a Hurry: Optimizing Charge-Discharge Cycles in Nanoporous Supercapacitors".
      ACS Nano 12(10)(9733–9741), 2018.
      [PDF] (4 MB) [DOI]
    • Kuron, Michael and Kreissl, Patrick and Holm, Christian.
      "Toward Understanding of Self-Electrophoretic Propulsion under Realistic Conditions: From Bulk Reactions to Confinement Effects".
      Accounts of Chemical Research 51(12)(2998–3005), 2018.
      [PDF] (4 MB) [DOI]
    • Krishnamoorthy, Anand Narayanan and Oldiges, Kristina and Winter, Martin and Heuer, Andreas and Cekic-Laskovic, Isidora and Holm, Christian and Smiatek, Jens.
      "Electrolyte solvents for high voltage lithium ion batteries: ion correlation and specific anion effects in adiponitrile".
      Physical Chemistry Chemical Physics 20(25701–25715), 2018.
      [PDF] (3 MB) [DOI]
    • Julian Michalowsky and Johannes Zeman and Christian Holm and Jens Smiatek.
      "A polarizable MARTINI model for monovalent ions in aqueous solution".
      The Journal of Chemical Physics 149(16)(163319), 2018.
      [PDF] (2 MB) [DOI]
    • Narayanan Krishnamoorthy, Anand and Holm, Christian and Smiatek, Jens.
      "Influence of Cosolutes on Chemical Equilibrium: a Kirkwood-Buff Theory for Ion Pair Association-Dissociation Processes in Ternary Electrolyte Solutions".
      The Journal of Physical Chemistry C 122(19)(10293–10302), 2018.
      [PDF] (717 KB) [DOI]
    • Krishnamoorthy, Anand Narayanan and Holm, Christian and Smiatek, Jens.
      "Specific ion effects for polyelectrolytes in aqueous and non-aqueous media: the importance of the ion solvation behavior".
      Soft Matter 14(30)(6243–6255), 2018.
      [PDF] (5 MB) [DOI]
    • Smiatek, Jens and Holm, Christian.
      "From the Atomistic to the Macromolecular Scale: Distinct Simulation Approaches for Polyelectrolyte Solutions".
      In Handbook of Materials Modeling: Methods: Theory and Modeling, pages 1–15.
      Springer International Publishing, Cham, 2018.
      [PDF] (368 KB) [DOI]
    • Uhlig, Frank and Zeman, Johannes and Smiatek, Jens and Holm, Christian.
      "First-Principles Parametrization of Polarizable Coarse-Grained Force Fields for Ionic Liquids".
      Journal of Chemical Theory and Computation 14(3)(1471–1486), 2018.
      [PDF] (2 MB) [DOI]
    • Alexander Weyman and Markus Bier and Christian Holm and Jens Smiatek.
      "Microphase Separation and the Formation of Ion Conductivity Channels in Poly(Ionic Liquid)s: A Coarse-Grained Molecular Dynamics Study".
      The Journal of Chemical Physics 148(19), 2018.
      [PDF] (4 MB) [DOI]
    • Weeber, Rudolf and Hermes, Melissa and Schmidt, Annette M. and Holm, Christian.
      "Polymer architecture of magnetic gels: a review".
      Journal of Physics: Condensed Matter 30(6)(063002), 2018.
      [PDF] (4 MB) [DOI]


2017

    • David Sean and Jonas Landsgesell and Christian Holm.
      "Computer Simulations of Static and Dynamical Properties of Weak Polyelectrolyte Nanogels in Salty Solutions".
      Gels 4(2)(2), 2018.
      [PDF] (976 KB) [DOI]
    • Ganesh Sivaraman and Rodrigo G. Amorim and Ralph H. Scheicherb and Maria Fyta.
      "Insights into the detection of mutations and epigenetic markers using diamondoidfunctionalized sensors".
      RSC Advances 7(43064–43072), 2017.
      [PDF] (2 MB) [DOI]
    • Datar, Adwait V. and Fyta, Maria and Marconi, Umberto Marini Bettolo and Melchionna, Simone.
      "Electrokinetic Lattice Boltzmann Solver Coupled to Molecular Dynamics: Application to Polymer Translocation".
      Langmuir 33(42)(11635-11645), 2017.
      [PDF] (3 MB) [DOI]
    • Uhlig, Frank and Smiatek, Jens and Holm, Christian.
      "Many-body effects in simulations of ionic liquids".
      In Proceedings of the 3rd bwHPC-Symposium, Heidelberg 2016, pages 121–123.
      heiBOOKS, 2017.
      [PDF] (2 MB) [DOI]
    • Tamal Roy and Kai Szuttor and Jens Smiatek and Christian Holm and Steffen Hardt.
      "Electric-field-induced stretching of surface-tethered polyelectrolytes in a microchannel".
      Physical Review E 96(3)(032503), 2017.
      [PDF] (794 KB) [DOI]
    • Niskanen, Johannes and Sahle, Christoph J. and Gilmore, Keith and Uhlig, Frank and Smiatek, Jens and Föhlisch, Alexander.
      "Disentangling structural information from core-level excitation spectra".
      Physical Review E 96(013319), 2017.
      [PDF] (2 MB) [DOI] [URL]
    • Roy, Tamal and Szuttor, Kai and Smiatek, Jens and Holm, Christian and Hardt, Steffen.
      "Stretching of surface-tethered polymers in pressure-driven flow under confinement".
      Soft Matter 13(6189–6196), 2017.
      [PDF] (3 MB) [DOI]
    • Kobayashi, Takeshi and Reid, Joshua and Shimizu, Seishi and Fyta, Maria and Smiatek, Jens.
      "The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood-Buff approaches".
      Physical Chemistry Chemical Physics 19(18924–18937), 2017.
      [PDF] (5 MB) [DOI]
    • Kai Szuttor and Tamal Roy and Steffen Hardt and Christian Holm and Jens Smiatek.
      "The stretching force on a tethered polymer in pressure-driven flow".
      The Journal of Chemical Physics 147(3)(034902), 2017.
      [PDF] (1005 KB) [DOI]
    • Diddens, Diddo and Lesch, Volker and Heuer, Andreas and Smiatek, Jens.
      "Aqueous Ionic Liquids and Their Influence on Peptide Conformations: Denaturation and Dehydration Mechanisms".
      Physical Chemistry Chemical Physics 19(20430–20440), 2017.
      [PDF] (4 MB) [DOI]
    • Tobias Richter and Jonas Landsgesell and Peter Košovan and Christian Holm.
      "On the efficiency of a hydrogel-based desalination cycle".
      Desalination 414(28–34), 2017.
      [PDF] (2 MB) [DOI] [URL]
    • Bauer, Gernot and Gribova, Nadezhda and Lange, Alexander and Holm, Christian and Gross, Joachim.
      "Three-body effects in triplets of capped gold nanocrystals".
      Molecular Physics 115(9-12)(1031–1040), 2017.
      [PDF] (2 MB) [DOI]
    • Jens Smiatek.
      "Aqueous ionic liquids and their effects on protein structures: an overview on recent theoretical and experimental results".
      Journal of Physics: Condensed Matter 29(23)(233001), 2017.
      [PDF] (2 MB) [DOI]
    • Landsgesell, Jonas and Holm, Christian and Smiatek, Jens.
      "Simulation of weak polyelectrolytes: A comparison between the constant pH and the reaction ensemble method".
      European Physical Journal Special Topics 226(725–736), 2017.
      [PDF] (287 KB) [DOI]
    • Landsgesell, Jonas and Holm, Christian and Smiatek, Jens.
      "Wang-Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid-Base Reactions".
      Journal of Chemical Theory and Computation 13(2)(852–862), 2017.
      [PDF] (3 MB) [DOI]
    • Chung, Salomon and Samin, Sela and Holm, Christian and Malherbe, Jean-Guillaume and Amokrane, Saïd.
      "Dynamics of field-driven population inversion in a confined colloidal mixture".
      Physical Review E 95(2)(022605), 2017.
      [PDF] (3 MB) [DOI]
    • Rau, Tobias and Weik, Florian and Holm, Christian.
      "A dsDNA model optimized for electrokinetic applications".
      Soft Matter 13(3918–3926), 2017.
      [PDF] (4 MB) [DOI]
    • Rud, Oleg and Richter, Tobias and Borisov, Oleg and Holm, Christian and Košovan, Peter.
      "A self-consistent mean-field model for polyelectrolyte gels".
      Soft Matter 13(18)(3264–3274), 2017.
      [PDF] (4 MB) [DOI]
    • Julian Michalowsky and Lars V. Schäfer and Christian Holm and Jens Smiatek.
      "A refined polarizable water model for the coarse-grained MARTINI force field with long-range electrostatic interactions".
      The Journal of Chemical Physics 146(5)(054501), 2017.
      [PDF] (512 KB) [DOI]
    • Niu, Ran and Kreissl, Patrick and Brown, Aidan Thomas and Rempfer, Georg and Botin, Denis and Holm, Christian and Palberg, Thomas and de Graaf, Joost.
      "Microfluidic pumping by micromolar salt concentrations".
      Soft Matter 13(1505–1518), 2017.
      [PDF] (5 MB) [DOI]
    • Brown, Aidan T. and Poon, Wilson C. K. and Holm, Christian and de Graaf, Joost.
      "Ionic screening and dissociation are crucial for understanding chemical self-propulsion in polar solvents".
      Soft Matter 13(1200–1222), 2017.
      [PDF] (5 MB) [DOI]
    • Smiatek, Jens and Hansen, Niels and Kästner, Johannes.
      "Free Energy Calculation Methods and Rare Event Sampling Techniques for Biomolecular Simulations".
      In Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis, pages 185–214.
      The Royal Society of Chemistry, 2017.
      [DOI] [URL]
    • Inci, G and Kronenburg, A and Weeber, R and Pflüger, D.
      "Langevin Dynamics Simulation of Transport and Aggregation of Soot Nano-particles in Turbulent Flows".
      Flow, Turbulence and Combustion (1–21), 2017.
      [PDF] (800 KB) [DOI]
    • Rempfer, Georg and Ehrhardt, Sascha and Holm, Christian and de Graaf, Joost.
      "Nanoparticle Translocation through Conical Nanopores: A Finite Element Study of Electrokinetic Transport".
      Macromolecular Theory and Simulations 26(1)(1600051), 2017.
      [PDF] (2 MB) [DOI]


2016

    • Bibek Adhikari and Sheng Meng and Maria Fyta.
      "Carbene-mediated self-assembly of diamondoids on metal surfaces".
      Nanoscale 8(8966–8975), 2016.
      [PDF] (3 MB) [DOI]
    • Ganesh Sivaraman and Rodrigo G. Amorim and Ralph H. Scheicher and Maria Fyta.
      "Diamondoid-functionalized gold nanogaps as sensors for natural, mutated, and epigenetically modified DNA nucleotides".
      Nanoscale 8(10105–10112), 2016.
      [PDF] (3 MB) [DOI]
    • Andreas Natterer and Bibek Adhikari and Maria Fyta.
      "Complexes of carbene-functionalized diamondoids and metal atoms: Electronic properties".
      Journal of Organometallic Chemistry 815-816(8–15), 2016.
      [PDF] (2 MB) [DOI]
    • Sergio Cruz León and Mara Prentiss and Maria Fyta.
      "Binding energies of nucleobase complexes: Relevance to homology recognition of DNA".
      Physical Review E 93(062410), 2016.
      [PDF] (968 KB) [DOI]
    • Ganesh Sivaraman and Rodrigo G Amorim and Ralph H Scheicher and Maria Fyta.
      "Benchmark investigation of diamondoidfunctionalized electrodes for nanopore DNA sequencing".
      Nanotechnology 27(41)(414002), 2016.
      [PDF] (2 MB) [DOI]
    • Ganesh Sivaraman and Fabio A. L. de Souza and Rodrigo G. Amorim and Wanderla L. Scopela and Maria Fyta and Ralph H. Scheicher.
      "Electronic Transport along Hybrid MoS2 Monolayers".
      Journal of Physical Chemistry 120(41)(23389–23396), 2016.
      [PDF] (6 MB) [DOI]
    • Bibek Adhikari and Ganesh Sivaraman and Maria Fyta.
      "Diamondoid-based molecular junctions: a computational study".
      Nanotechnology 27(48)(485207), 2016.
      [PDF] (3 MB) [DOI]
    • Maria Fyta.
      "Computational Approaches in Physics".
      Morgan & Claypool Publishers, 2016.
      [PDF] (4 MB) [DOI] [URL]
    • Schroer, Martin A. and Michalowsky, Julian and Fischer, Birgit and Smiatek, Jens and Grübel, Gerhard.
      "Stabilizing Effect of TMAO on Globular PNIPAM States: Preferential Attraction Induces Preferential Hydration".
      Physical Chemistry Chemical Physics 18(31459–31470), 2016.
      [PDF] (3 MB) [DOI]
    • Weik, Florian and Kesselheim, Stefan and Holm, Christian.
      "A coarse-grained DNA model for the prediction of current signals in DNA translocation experiments".
      The Journal of Chemical Physics 145(19)(194106), 2016.
      [PDF] (3 MB) [DOI]
    • Krishnamoorthy, Anand Narayanan and Zeman, Johannes and Holm, Christian and Smiatek, Jens.
      "Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions".
      Physical Chemistry Chemical Physics 18(31312–31322), 2016.
      [PDF] (4 MB) [DOI]
    • Ryan Burt and Konrad Breitsprecher and Barbara Daffos and Pierre-Louis Taberna and Patrice Simon and Greg Birkett and Xiu Song Zhao and Christian Holm and Mathieu Salanne.
      "Capacitance of Nanoporous Carbon-Based Supercapacitors Is a Trade-Off between the Concentration and the Separability of the Ions".
      The Journal of Physical Chemistry Letters 7(19)(4015–4021), 2016.
      [PDF] (483 KB) [DOI]
    • Ilse, Sven Erik and Holm, Christian and de Graaf, Joost.
      "Surface roughness stabilizes the clustering of self-propelled triangles".
      The Journal of Chemical Physics 145(13)(134904), 2016.
      [PDF] (14 MB) [DOI]
    • Bordin, José Rafael and Podgornik, Rudolf and Holm, Christian.
      "Static polarizability effects on counterion distributions near charged dielectric surfaces: A coarse-grained Molecular Dynamics study employing the Drude model".
      European Physical Journal Special Topics 225(8)(1693–1705), 2016.
      [PDF] (669 KB) [DOI]
    • Breitsprecher, Konrad and Krishnamoorthy, Anand Narayanan and Smiatek, Jens and Holm, Christian.
      "Force Field Optimization for Ionic Liquids: FFOIL".
      In High Performance Computing in Science and Engineering '15, pages 101–117.
      Springer, 2016.
      [PDF] (2 MB) [DOI]
    • Lesch, Volker and Heuer, Andreas and Rad, Babak R. and Winter, Martin and Smiatek, Jens.
      "Atomistic insights into deep eutectic electrolytes: the influence of urea on the electrolyte salt LiTFSI in view of electrochemical applications".
      Physical Chemistry Chemical Physics 18(28403–28408), 2016.
      [PDF] (3 MB) [DOI] [URL]
    • Hahn, Marc Benjamin and Uhlig, Frank and Solomun, Tihomir and Smiatek, Jens and Sturm, Heinz.
      "Combined influence of ectoine and salt: spectroscopic and numerical evidence for compensating effects on aqueous solutions".
      Physical Chemistry Chemical Physics 18(41)(28398–28402), 2016.
      [PDF] (3 MB) [DOI]
    • de Graaf, Joost and Menke, Henri and Mathijssen, Arnold J. T. M. and Fabritius, Marc and Holm, Christian and Shendruk, Tyler N..
      "Lattice-Boltzmann hydrodynamics of anisotropic active matter".
      The Journal of Chemical Physics 144(13)(134106), 2016.
      [PDF] (2 MB) [DOI]
    • Micciulla, Samantha and Michalowsky, Julian and Schroer, Martin A. and Holm, Christian and von Klitzing, Regine and Smiatek, Jens.
      "Concentration dependent effects of urea binding to poly(N-isopropylacrylamide) brushes: a combined experimental and numerical study".
      Physical Chemistry Chemical Physics 18(5324–5335), 2016.
      [PDF] (3 MB) [DOI]
    • Lesch, Volker and Heuer, Andreas and Holm, Christian and Smiatek, Jens.
      "Properties of Apolar Solutes in Alkyl Imidazolium-Based Ionic Liquids: The Importance of Local Interactions".
      ChemPhysChem 17(3)(387–394), 2016.
      [PDF] (2 MB) [DOI] [URL]
    • Sánchez, Pedro A. and Smiatek, Jens and Qiao Baofu and Sega, Marcello and Holm, Christian.
      "Atomistic Simulation of Oligoelectrolyte Multilayers Growth".
      In High Performance Computing in Science and Engineering '15: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015, pages 215–228. Editors: Nagel, E. Wolfgang and Kröner, H. Dietmar and Resch, M. Michael,
      Springer International Publishing, 2016.
      [PDF] (292 KB) [DOI]
    • Kreissl, Patrick and Holm, Christian and de Graaf, Joost.
      "The efficiency of self-phoretic propulsion mechanisms with surface reaction heterogeneity".
      The Journal of Chemical Physics 144(20)(204902), 2016.
      [PDF] (2 MB) [DOI]
    • de Graaf, Joost and Mathijssen, Arnold J. T. M. and Fabritius, Marc and Menke, Henri and Holm, Christian and Shendruk, Tyler N..
      "Understanding the onset of oscillatory swimming in microchannels".
      Soft Matter 12(21)(4704–4708), 2016.
      [PDF] (3 MB) [DOI]
    • Huang, Shilin and Pessot, Giorgio and Cremer, Peet and Weeber, Rudolf and Holm, Christian and Nowak, Johannes and Odenbach, Stefan and Menzel, Andreas M. and Auernhammer, Günter K..
      "Buckling of paramagnetic chains in soft gels".
      Soft Matter 12(1)(228–237), 2016.
      [PDF] (3 MB) [DOI]
    • Rempfer, Georg and Davies, Gary B. and Holm, Christian and de Graaf, Joost.
      "Reducing spurious flow in simulations of electrokinetic phenomena".
      The Journal of Chemical Physics 145(4)(044901), 2016.
      [PDF] (4 MB) [DOI]
    • Rempfer, Georg and Ehrhardt, Sascha and Laohakunakorn, Nadanai and Davies, Gary B. and Keyser, Ulrich F. and Holm, Christian and de Graaf, Joost.
      "Selective Trapping of DNA Using Glass Microcapillaries".
      Langmuir 32(33)(8525–8532), 2016.
      [PDF] (5 MB) [DOI]
    • Michael Kuron and Georg Rempfer and Florian Schornbaum and Martin Bauer and Christian Godenschwager and Christian Holm and Joost de Graaf.
      "Moving charged particles in lattice Boltzmann-based electrokinetics".
      The Journal of Chemical Physics 145(21)(214102), 2016.
      [PDF] (718 KB) [DOI]


2015

    • Bibek Adhikari and Maria Fyta.
      "Towards double-functionalized small diamondoids: selective electronic band-gap tuning".
      Nanotechnology 26(3)(035701), 2015.
      [PDF] (2 MB) [DOI]
    • Vögele, Martin and Holm, Christian and Smiatek, Jens.
      "Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)".
      The Journal of Chemical Physics 143(24)(243151), 2015.
      [PDF] (910 KB) [DOI]
    • Marc Benjamin Hahn and Tihomir Solomun and Robert Wellhausen and Sabrina Hermann and Harald Seitz and Susann Meyer and Hans-Jörg Kunte and Johannes Zeman and Frank Uhlig and Jens Smiatek and Heinz Sturm.
      "Influence of the Compatible Solute Ectoine on the Local Water Structure: Implications for the Binding of the Protein G5P to DNA".
      The Journal of Physical Chemistry B 119(49)(15212–15220), 2015.
      [PDF] (479 KB) [DOI]
    • Fahrenberger, Florian and Hickey, Owen A. and Smiatek, Jens and Holm, Christian.
      "The influence of charged-induced variations in the local permittivity on the static and dynamic properties of polyelectrolyte solutions".
      The Journal of Chemical Physics 143(24)(243140), 2015.
      [PDF] (2 MB) [DOI]
    • Peter Košovan and Tobias Richter and Christian Holm.
      "Modeling of Polyelectrolyte Gels in Equilibrium with Salt Solutions".
      Macromolecules 48(20)(7698–7708), 2015.
      [PDF] (3 MB) [DOI]
    • Lesch, Volker and Heuer, Andreas and Tatsis, Vasileios A. and Holm, Christian and Smiatek, Jens.
      "Peptides in the presence of aqueous ionic liquids: tunable co-solutes as denaturants or protectants?".
      Physical Chemistry Chemical Physics 17(39)(26049–26053), 2015.
      [PDF] (2 MB) [DOI]
    • Pessot, Giorgio and Weeber, Rudolf and Holm, Christian and Löwen, Hartmut and Menzel, Andreas M..
      "Towards a scale-bridging description of ferrogels and magnetic elastomers".
      Journal of Physics: Condensed Matter 27(32)(325105), 2015.
      [PDF] (2 MB) [DOI]
    • Weeber, Rudolf and Kantorovich, Sofia and Holm, Christian.
      "Ferrogels cross-linked by magnetic particles: Field-driven deformation and elasticity studied using computer simulations".
      The Journal of Chemical Physics 143(15)(154901), 2015.
      [PDF] (4 MB) [DOI]
    • Fahrenberger, Florian and Hickey, Owen A. and Smiatek, Jens and Holm, Christian.
      "Importance of varying permittivity on the conductivity of polyelectrolyte solutions".
      Physical Review Letters 115(118301), 2015.
      [PDF] (523 KB) [DOI] [URL]
    • Vögele, Martin and Holm, Christian and Smiatek, Jens.
      "Properties of the polarizable MARTINI water model: A comparative study for aqueous electrolyte solutions".
      Journal of Molecular Liquids 212(103–110), 2015.
      [PDF] (792 KB) [DOI]
    • Kai Kratzer and Axel Arnold.
      "Two-stage crystallization of charged colloids under low supersaturation conditions".
      Soft Matter 11(2174–2182), 2015.
      [PDF] (2 MB) [DOI]
    • Michael Kuron and Axel Arnold.
      "Role of geometrical shape in like-charge attraction of DNA".
      European Physical Journal E 38(20), 2015.
      [PDF] (2 MB) [DOI]
    • Lesch, Volker and Heuer, Andreas and Holm, Christian and Smiatek, Jens.
      "Solvent effects of 1-ethyl-3-methylimidazolium acetate: solvation and dynamic behavior of polar and apolar solutes".
      Physical Chemistry Chemical Physics 17(8480–8490), 2015.
      [PDF] (3 MB) [DOI]
    • Minina, Elena; Arnold, Axel.
      "Entropic segregation of ring polymers in cylindrical confinement".
      Macromolecules 48(14)(4998–5005), 2015.
      [PDF] (2 MB) [DOI]
    • Raafatnia, Shervin and Hickey, Owen A. and Holm, Christian.
      "Electrophoresis of a Spherical Polyelectrolyte-Grafted Colloid in Monovalent Salt Solutions: Comparison of Molecular Dynamics Simulations with Theory and Numerical Calculations".
      Macromolecules 48(3)(775–787), 2015.
      [PDF] (3 MB) [DOI]
    • Taudt, Aaron and Arnold, Axel and Pleiss, Jürgen.
      "Simulation of protein association: Kinetic pathways towards crystal contacts".
      Physical Review E 91(033311), 2015.
      [PDF] (2 MB) [DOI]
    • Wohlfarth, Andreas and Smiatek, Jens and Kreuer, Klaus-Dieter and Takamuku, Shogo and Jannasch, Patric and Maier, Joachim.
      "Proton Dissociation of Sulfonated Polysulfones: Influence of Molecular Structure and Conformation".
      Macromolecules 48(4)(1134–1143), 2015.
      [PDF] (2 MB) [DOI]
    • Bauer, Gernot and Lange, Alexander and Gribova, Nadezhda and Holm, Christian and Gross, Joachim.
      "Effective potentials between gold nano crystals - functional dependence on temperature".
      Molecular Simulation 41(14)(1153–1158), 2015.
      [PDF] (199 KB) [DOI]
    • Weeber, Rudolf and Kantorovich, Sofia and Holm, Christian.
      "Ferrogels cross-linked by magnetic nanoparticles – Deformation mechanisms in two and three dimensions studied by means of computer simulations".
      Journal of Magnetism and Magnetic Materials 383(262–266), 2015.
      [PDF] (3 MB) [DOI]
    • Fischer, Lukas P. and Peter, Toni and Holm, Christian and de Graaf, Joost.
      "The raspberry model for hydrodynamic interactions revisited. I. Periodic arrays of spheres and dumbbells".
      The Journal of Chemical Physics 143(8)(084107), 2015.
      [PDF] (3 MB) [DOI]


2014

    • Bibek Adhikari and Balaji Muthuraman and Christos Mathioudakis and Maria Fyta.
      "Promoting the assembly of carbon onions: An atomistic approach".
      Physica Status Solidi A 211(277–287), 2014.
      [PDF] (2 MB) [DOI]
    • Ganesh Sivaraman and Maria Fyta.
      "Chemically modified diamondoids as biosensors for DNA".
      Nanoscale 6(4225–4232), 2014.
      [PDF] (3 MB) [DOI]
    • Frank C. Maier and Dr. Maria Fyta.
      "Type-Dependent Identification of DNA Nucleobases by Using Diamondoids".
      ChemPhysChem 15(3466–3475), 2014.
      [PDF] (3 MB) [DOI]
    • Maria Fyta.
      "Stable boron nitride diamondoids as nanoscale materials".
      Nanotechnology 25(36)(365601), 2014.
      [PDF] (2 MB) [DOI]
    • Ganesh Sivaraman and Maria Fyta.
      "Diamondoids as DNA methylation and mutation probes".
      Europhysics Letters 108(17005), 2014.
      [PDF] (419 KB) [DOI]
    • Frank C. Maier and Ganesh Sivaraman and Maria Fyta.
      "The role of a diamondoid as a hydrogen donor or acceptor in probing DNA nucleobases".
      European Physical Journal E 37(95).
      [PDF] (2 MB) [DOI]
    • Konrad Breitsprecher and Peter Košovan and Christian Holm.
      "Coarse-grained simulations of an ionic liquid-based capacitor I: density, ion size, and valency effects".
      Journal of Physics: Condensed Matter 26(28)(284108), 2014.
      [PDF] (2 MB) [DOI]
    • Konrad Breitsprecher and Peter Košovan and Christian Holm.
      "Coarse-grained simulations of an ionic liquid-based capacitor II: asymmetry in ion shape and charge localization".
      Journal of Physics: Condensed Matter 26(28)(284114), 2014.
      [PDF] (2 MB) [DOI]
    • Matthias U. Bohner and Johannes Zeman and Jens Smiatek and Axel Arnold and Johannes Kästner.
      "Nudged-elastic band used to find reaction coordinates based on the free energy".
      The Journal of Chemical Physics 140(7)(074109), 2014.
      [PDF] (637 KB) [DOI]
    • Dommert, Florian and Wendler, Katharina and Qiao, Baofu and Delle Site, Luigi and Holm, Christian.
      "Generic force fields for ionic liquids".
      Journal of Molecular Liquids 192(32–37), 2014.
      [PDF] (711 KB) [DOI]
    • Elshwishin, A and Köser, J and Schröer, W and Qiao, Baofu.
      "Liquid–liquid phase separation of ionic liquids in solutions: Ionic liquids with the triflat anion solved in aryl halides".
      Journal of Molecular Liquids 192(127–136), 2014.
      [PDF] (725 KB) [DOI]
    • Ertl, Thomas and Krone, Michael and Kesselheim, Stefan and Scharnowski, Katrin and Reina, Guido and Holm, Christian.
      "Visual Analysis for Space-Time Aggregation of Biomolecular Simulations".
      Faraday Discussions 169(167–178), 2014.
      [PDF] (3 MB) [DOI]
    • Fahrenberger, Florian and Holm, Christian.
      "Computing the Coulomb interaction in inhomogeneous dielectric media via a local electrostatics lattice algorithm".
      Physical Review E 90(063304), 2014.
      [PDF] (896 KB) [DOI]
    • Hickey, Owen A. and Holm, Christian and Smiatek, Jens.
      "Lattice-Boltzmann simulations of the electrophoretic stretching of polyelectrolytes: The importance of hydrodynamic interactions".
      The Journal of Chemical Physics 140(16)(164904), 2014.
      [PDF] (739 KB) [DOI]
    • Kesselheim, Stefan and Müller, Wojciech and Holm, Christian.
      "Origin of Current Blockades in Nanopore Translocation Experiments".
      Physical Review Letters 112(018101), 2014.
      [PDF] (351 KB) [DOI]
    • Kai Kratzer and Joshua T. Berryman and Aaron Taudt and Johannes Zeman and Axel Arnold.
      "The Flexible Rare Event Sampling Harness System (FRESHS)".
      Computer Physics Communications 185(7)(1875–1885), 2014.
      [PDF] (2 MB) [DOI]
    • Narayanan Krishnamoorthy, Anand and Holm, Christian and Smiatek, Jens.
      "Local Water Dynamics around Antifreeze Protein Residues in the Presence of Osmolytes: The Importance of Hydroxyl and Disaccharide Groups".
      The Journal of Physical Chemistry B 118(40)(11613–11621), 2014.
      [PDF] (2 MB) [DOI]
    • Micciulla, Samantha and Sánchez, Pedro A. and Smiatek, Jens and Qiao, Baofu and Sega, Marcello and Laschewsky, André and Holm, Christian and von Klitzing, Regine.
      "Layer-by-Layer Formation of Oligoelectrolyte Multilayers: A Combined Experimental and Computational Study".
      Soft Materials 12(sup1)(S14–S21), 2014.
      [PDF] (581 KB) [DOI]
    • Minina, Elena; Arnold, Axel.
      "Induction of entropic segregation: the first step is the hardest".
      Soft Matter 10(5836–5841), 2014.
      [PDF] (2 MB) [DOI]
    • Raafatnia, Shervin and Hickey, Owen A. and Sega, Marcello and Holm, Christian.
      "Computing the Electrophoretic Mobility of Large Spherical Colloids by Combining Explicit Ion Simulations with the Standard Electrokinetic Model".
      Langmuir 30(7)(1758–1767), 2014.
      [PDF] (2 MB) [DOI]
    • Raafatnia, Shervin and Hickey, Owen A. and Holm, Christian.
      "Mobility Reversal of Polyelectrolyte-Grafted Colloids in Monovalent Salt Solutions".
      Physical Review Letters 113(238301), 2014.
      [PDF] (336 KB) [DOI] [URL]
    • Sega, Marcello and Kantorovich, Sofia S. and Holm, Christian and Arnold, Axel.
      "Communication: Kinetic and pairing contributions in the dielectric spectra of electrolyte solutions".
      The Journal of Chemical Physics 140(21)(211101), 2014.
      [PDF] (2 MB) [DOI]
    • Jens Smiatek and Andreas Wohlfarth and Christian Holm.
      "The solvation and ion condensation properties for sulfonated polyelectrolytes in different solvents-a computational study".
      New Journal of Physics 16(2)(025001), 2014.
      [PDF] (742 KB) [DOI] [URL]
    • Smiatek, Jens.
      "Osmolyte Effects: Impact on the Aqueous Solution around Charged and Neutral Spheres".
      The Journal of Physical Chemistry B 118(3)(771–782), 2014.
      [PDF] (2 MB) [DOI]
    • Smiatek, Jens and Janssen-Müller, Daniel and Friedrich, Rudolf and Heuer, Andreas.
      "Systematic detection of hidden complexities in the unfolding mechanism of a cytosine-rich DNA strand".
      Physica A: Statistical Mechanics and its Applications 394(0)(136 - 144), 2014.
      [PDF] (930 KB) [DOI] [URL]
    • Smiatek, Jens and Heuer, Andreas.
      "Deprotonation mechanism of a single-stranded DNA i-motif".
      RSC Advances 4(17110–17113), 2014.
      [PDF] (380 KB) [DOI]
    • Vagias, Apostolos and Košovan, Peter and Koynov, Kaloian and Holm, Christian and Butt, Hans-Jürgen and Fytas, George.
      "Dynamics in Stimuli-Responsive Poly(N-isopropylacrylamide) Hydrogel Layers As Revealed by Fluorescence Correlation Spectroscopy".
      Macromolecules 47(15)(5303–5312), 2014.
      [PDF] (2 MB) [DOI] [URL]


2013

    • Axel Arnold and Olaf Lenz and Stefan Kesselheim and Rudolf Weeber and Florian Fahrenberger and Dominic Röhm and Peter Košovan and Christian Holm.
      "ESPResSo 3.1 – Molecular Dynamics Software for Coarse-Grained Models".
      In Meshfree Methods for Partial Differential Equations VI, volume 89 of Lecture Notes in Computational Science and Engineering, pages 1–23. Editors: M. Griebel and M. A. Schweitzer,
      Springer Berlin Heidelberg, 2013.
      [PDF] (380 KB) [DOI]
    • Arnold, Axel and Fahrenberger, Florian and Holm, Christian and Lenz, Olaf and Bolten, Matthias and Dachsel, Holger and Halver, Rene and Kabadshow, Ivo and Gähler, Franz and Heber, Frederik and Iseringhausen, Julian and Hofmann, Michael and Pippig, Michael and Potts, Daniel and Sutmann, Godehard.
      "Comparison of scalable fast methods for long-range interactions".
      Physical Review E 88(063308), 2013.
      [PDF] (3 MB) [DOI]
    • Arnold, Axel and Breitsprecher, Konrad and Fahrenberger, Florian and Kesselheim, Stefan and Lenz, Olaf and Holm, Christian.
      "Efficient Algorithms for Electrostatic Interactions Including Dielectric Contrasts".
      Entropy 15(11)(4569–4588), 2013.
      [PDF] (3 MB) [DOI] [URL]
    • Stephan Gekle and Axel Arnold.
      "Comment on ``Anomalous Dielectric Behavior of Nanoconfined Electrolytic Solutions''".
      Physical Review Letters 111(089801), 2013.
      [PDF] (52 KB) [DOI]
    • Chakrabarti, Rajarshi and Kesselheim, Stefan and Košovan, Peter and Holm, Christian.
      "Tracer diffusion in a crowded cylindrical channel".
      Physical Review E 87(6)(062709), 2013.
      [PDF] (906 KB) [DOI]
    • Dommert, Florian and Holm, Christian.
      "Refining classical force fields for ionic liquids: theory and application to [MMIm][Cl]".
      Physical Chemistry Chemical Physics 15(6)(2037–2049), 2013.
      [PDF] (4 MB) [DOI]
    • Yevgen Dorozhko and Kai Kratzer and Yuriy Yudin and Axel Arnold and Colin W. Glass and Michael Resch.
      "Rare Event Sampling using the Science Experimental Grid Laboratory".
      Proceedings of the Fourteenth International Conference on Civil, Structural and Environmental Engineering Computing , pages Paper 207, Editors: B.H.V. Topping and P. Iványi, , Stirlingshire, UK, 2013.
      Civil-Comp Press.
    • Fyta, Maria.
      "Nitrogen-Vacancy Centers and Dopants in Ultrathin Diamond Films: Electronic Structure".
      JOURNAL OF PHYSICAL CHEMISTRY C 117(41)(21376–21381), 2013.
      [PDF] (5 MB) [DOI]
    • Gunther, F. and Janoschek, F. and Frijters, S. and Harting, J..
      "Lattice Boltzmann simulations of anisotropic particles at liquid interfaces".
      COMPUTERS & FLUIDS 80(SI)(184–189), 2013.
      [PDF] (2 MB) [DOI]
    • Hecht, Martin and Harting, Jens.
      "Implementation of on-site velocity boundary conditions for D3Q19 lattice Boltzmann simulations (vol 2010, P01018, 2010)".
      JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT , 2013.
      [PDF] (111 KB) [DOI]
    • Owen A. Hickey and Christian Holm.
      "Electrophoretic mobility reversal of polyampholytes induced by strong electric fields or confinement".
      The Journal of Chemical Physics 138(19)(194905), 2013.
      [PDF] (839 KB) [DOI]
    • Höpfner, Johannes and Richter, Tobias and Košovan, Peter and Holm, Christian and Wilhelm, Manfred.
      "Seawater Desalination via Hydrogels: Practical Realisation and First Coarse Grained Simulations".
      In Intelligent Hydrogels, volume 140 of Progress in Colloid and Polymer Science, pages 247–263. Editors: Sadowski, Gabriele and Richtering, Walter,
      Springer International Publishing, 2013.
      [PDF] (2 MB) [DOI] [URL]
    • Hönig, O. and Doster, F. and Hilfer, R..
      "Traveling Wave Solutions in a Generalized Theory for Macroscopic Capillarity".
      Transport in Porous Media 99(3)(467–491), 2013.
      [PDF] (2 MB) [DOI]
    • Klinkigt, Marco and Weeber, Rudolf and Kantorovich, Sofia and Holm, Christian.
      "Cluster formation in systems of shifted-dipole particles".
      Soft Matter 9(3535–3546), 2013.
      [PDF] (893 KB) [DOI]
    • T. Köddermann and D. Reith and A. Arnold.
      "Why the Partition Coefficient of Ionic Liquids is concentration-dependent".
      Journal of Physical Chemistry B 117(37)(10711–10718), 2013.
      [PDF] (879 KB) [DOI]
    • Košovan, Peter and Richter, Tobias and Holm, Christian.
      "Molecular Simulations of Hydrogels".
      In Intelligent Hydrogels, volume 140 of Progress in Colloid and Polymer Science, pages 205–221. Editors: Sadowski, Gabriele and Richtering, Walter,
      Springer International Publishing, 2013.
      [PDF] (650 KB) [DOI] [URL]
    • Kai Kratzer and Axel Arnold and Rosalind J. Allen.
      "Automatic, optimized interface placement in forward flux sampling simulations".
      The Journal of Chemical Physics 138(16)(164112), 2013.
      [PDF] (798 KB)
    • Krueger, T. and Frijters, S. and Gunther, F. and Kaoui, B. and Harting, J..
      "Numerical simulations of complex fluid-fluid interface dynamics".
      EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS 222(1)(177–198), 2013.
      [PDF] (2 MB) [DOI]
    • Mamatkulov, Shavkat and Fyta, Maria and Netz, Roland R..
      "Force fields for divalent cations based on single-ion and ion-pair properties".
      The Journal of Chemical Physics 138(2), 2013.
      [PDF] (2 MB) [DOI]
    • Minina, E. and Kantorovich, S..
      "The influence of dimensionality on the behavior of magnetic dipolar soft spheres: calculation of the pressure".
      JOURNAL OF PHYSICS-CONDENSED MATTER 25(15), 2013.
      [PDF] (482 KB) [DOI]
    • Novak, Ekaterina and Minina, Elena and Pyanzina, Elena and Kantorovich, Sofia and Ivanov, Alexey.
      "Structure factor of model bidisperse ferrofluids with relatively weak interparticle interactions".
      The Journal of Chemical Physics 139(22), 2013.
      [PDF] (2 MB) [DOI]
    • Röhm, Dominic and Kratzer, Kai and Arnold, Axel.
      "Heterogeneous and Homogeneous Crystallization of Soft Spheres in Suspension".
      In High Performance Computing in Science and Engineering '13, pages 33–52. Editors: Nagel, Wolfgang E. and Kroener, Dietmar H. and Resch, Michael M.,
      Springer International Publishing, 2013.
      [DOI] [URL]
    • Samin, Sela and Tsori, Yoav and Holm, Christian.
      "Vapor-liquid coexistence of the Stockmayer fluid in nonuniform external fields".
      Physical Review E 87(5), 2013.
      [PDF] (301 KB) [DOI]
    • Sánchez, Pedro A. and Cerdà, Joan J. and Sintes, Tomás and Holm, Christian.
      "Effects of the dipolar interaction on the equilibrium morphologies of a single supramolecular magnetic filament in bulk".
      The Journal of Chemical Physics 139(4), 2013.
      [PDF] (2 MB) [DOI]
    • Sega, Marcello and Kantorovich, Sofia S. and Arnold, Axel and Holm, Christian.
      "On the Calculation of the Dielectric Properties of Liquid Ionic Systems".
      In Recent Advances in Broadband Dielectric Spectroscopy, volume of NATO Science for Peace and Security Series B: Physics and Biophysics, pages 103–122. Editors: Kalmykov, Yuri P.,
      Springer Netherlands, 2013.
      [PDF] (903 KB) [DOI]
    • Semenov, Ilya and Raafatnia, Shervin and Sega, Marcello and Lobaskin, Vladimir and Holm, Christian and Kremer, Friedrich.
      "Electrophoretic mobility and charge inversion of a colloidal particle studied by single-colloid electrophoresis and molecular dynamics simulations".
      Physical Review E 87(022302), 2013.
      [PDF] (2 MB) [DOI]
    • Smiatek, J. and Harishchandra, R. K. and Galla, H.-J. and Heuer, A..
      "Low Concentrated Hydroxiectoine Solutions in Presence of DPPC Lipid Bilayers: A Computer Simulation Study".
      Biophysical Chemistry 180(102–109), 2013.
      [PDF] (895 KB) [DOI]
    • Smiatek, Jens and Heuer, Andreas and Wagner, Hendrik and Studer, Armido and Hentschel, Carsten and Chi, Lifeng.
      "Coat thickness dependent adsorption of hydrophobic molecules at polymer brushes".
      The Journal of Chemical Physics 138(4), 2013.
      [PDF] (759 KB) [DOI]
    • Vagias, Apostolos and Raccis, Riccardo and Koynov, Kaloian and Jonas, Ulrich and Butt, Hans-Jürgen and Fytas, George and Košovan, Peter and Lenz, Olaf and Holm, Christian.
      "Complex Tracer Diffusion Dynamics in Polymer Solutions".
      Physical Review Letters 111(8)(088301), 2013.
      [PDF] (492 KB) [DOI] [URL]
    • Vagias, Apostolos and Košovan, Peter and Holm, Christian and Butt, Hans-Jürgen and Koynov, Kaloian and Fytas, George.
      "Tracer Mobility in Aqueous Poly(N-isopropylacrylamide) Grafted Networks: Effect of Interactions and Permanent Crosslinks".
      In Intelligent Hydrogels, volume 140 of Progress in Colloid and Polymer Science, pages 53–62. Editors: Sadowski, Gabriele and Richtering, Walter,
      Springer International Publishing, 2013.
      [PDF] (429 KB) [DOI] [URL]
    • Weeber, Rudolf and Klinkigt, Marco and Kantorovich, Sofia and Holm, Christian.
      "Microstructure and magnetic properties of magnetic fluids consisting of shifted dipole particles under the influence of an external magnetic field".
      The Journal of Chemical Physics 139(21)(214901), 2013.
      [PDF] (2 MB) [DOI] [URL]


2012

    • Bachthaler, Sven and Sadlo, Filip and Weeber, Rudolf and Kantorovich, Sofia and Holm, Christian and Weiskopf, Daniel.
      "Magnetic Flux Topology of 2D Point Dipoles".
      Computer Graphics Forum 31(3, Part 1)(955–964), 2012.
      [PDF] (3 MB) [DOI]
    • Vincent Ballenegger and Joan J. Cerdà and Christian Holm.
      "How to Convert SPME to P3M: Influence Functions and Error Estimates".
      Journal of Chemical Theory and Computation 8(3)(936–947), 2012.
      [PDF] (489 KB) [DOI] [URL]
    • T. Brandes and A. Arnold and T. Soddemann and D. Reith.
      "CPU vs. GPU — Performance comparison for the Gram-Schmidt algorithm".
      European Journal of Physics Special Topics 210(73–88), 2012.
    • Cerdà, Juan J. and Holm, Christian and Qiao, Baofu.
      "Modeling the Structure and Dynamics of Polyelectrolyte Multilayers".
      In Ionic Interactions in Natural and Synthetic Macromolecules, chapter 5, pages 121–166. Editors: Ciferri, Alberto and Perico, Angelo,
      John Wiley & Sons, Inc., 2012.
      [PDF] (2 MB) [DOI]
    • Rajarshi Chakrabarti.
      "Dynamics of end-to-end loop formation: A flexible chain in the presence of hydrodynamic interaction".
      Physica A 391(16)(4081–4087), 2012.
      [PDF] (293 KB) [DOI] [URL]
    • Delle Site, Luigi and Holm, Christian and van der Vegt, Nico F. A..
      "Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes".
      In unknown booktitle, volume 307 of Topics in Current Chemistry, pages 251–294. Editors: B. Kirchner and J. Vrabec,
      Springer-Verlag, 2012.
      [PDF] (2 MB) [DOI]
    • Florian Dommert and Katharina Wendler and Robert Berger and Luigi Delle Site and Christian Holm.
      "Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments".
      ChemPhysChem 13(7)(1625–1637), 2012.
      [PDF] (691 KB) [DOI]
    • Dörfler, Fabian and Rauscher, Markus and Koplik, Joel and Harting, Jens and Dietrich, S..
      "Micro- and nanoscale fluid flow on chemical channels".
      Soft Matter 8(9221–9234), 2012.
      [PDF] (2 MB) [DOI]
    • F. Doster and R. Hilfer.
      "Corrigendum: Generalized Buckley-Leverett theory for two-phase flow in porous media".
      New Journal of Physics 14(2)(029501), 2012.
      [PDF] (320 KB) [DOI] [URL]
    • Doster, F. and Hönig, O. and Hilfer, R..
      "Horizontal flow and capillarity-driven redistribution in porous media".
      Physical Review E 86(016317), 2012.
      [PDF] (632 KB) [DOI] [URL]
    • Fyta, Maria and Netz, Roland R..
      "Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules".
      The Journal of Chemical Physics 136(12), 2012.
      [PDF] (2 MB) [DOI]
    • Fyta, M..
      "Structural and technical details of the Kirkwood-Buff integrals from the optimization of ionic force fields: focus on fluorides".
      European Physical Journal E 35(3)(1–12), 2012.
      [PDF] (985 KB) [DOI]
    • Hsu, Chia Wei and Fyta, Maria and Lakatos, Greg and Melchionna, Simone and Kaxiras, Efthimios.
      "Ab initio determination of coarse-grained interactions in double-stranded DNA".
      The Journal of Chemical Physics 137(10)(105102), 2012.
      [PDF] (2 MB)
    • Hilfer, R. and Doster, F. and Zegeling, P.A..
      "Nonmonotone Saturation Profiles for Hydrostatic Equilibrium in Homogeneous Porous Media".
      Vadose Zone Journal , 2012.
      [PDF] (834 KB) [DOI]
    • D. Röhm and A. Arnold.
      "Lattice Boltzmann simulations on GPUs with ESPResSo".
      European Physical Journal Special Topics 210(89–100), 2012.
      [PDF] (419 KB)
    • Weeber, Rudolf and Kantorovich, Sofia and Holm, Christian.
      "Deformation mechanisms in 2D magnetic gels studied by computer simulations".
      Soft Matter 8(9923–9932), 2012.
      [PDF] (2 MB) [DOI]
    • Wendler, Katharina and Dommert, Florian and Zhao, Yuan Yuan and Berger, Robert and Holm, Christian and Delle Site, Luigi.
      "Ionic liquids studied across different scales: A computational perspective".
      Faraday Discussions 154(111–132), 2012.
      [PDF] (493 KB) [DOI]


2011

    • Christian Holm and Nadezhda Gribova and Axel Arnold and Tanja Schilling.
      "How close to two dimensions does a Lennard-Jones system need to be to produce a hexatic phase?".
      The Journal of Chemical Physics 135(054514), 2011.
      [PDF] (419 KB) [DOI]
    • Owen A. Hickey and Christian Holm and James L. Harden and Gary W. Slater.
      "Influence of Charged Polymer Coatings on Electro-Osmotic Flow: Molecular Dynamics Simulations".
      Macromolecules 44(9455–9463), 2011.
      [PDF] (2 MB) [DOI]
    • Katharina Wendler and Stefan Zahn and Florian Dommert and Robert Berger and Christian Holm and Barbara Kirchner and Luigi Delle Site.
      "Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond".
      Journal of Chemical Theory and Computation 7(10)(3040–3044), 2011.
      [PDF] (2 MB) [DOI]
    • Sofia Kantorovich and Rudolf Weeber and Juan J. Cerdà and Christian Holm.
      "Magnetic particles with shifted dipoles".
      JMMM 323(10)(1269–1272), 2011.
      [PDF] (401 KB) [DOI]
    • Juan J. Cerdà and Christian Holm and Kurt Kremer.
      "Novel Simulation Approaches for Polymeric and Soft Matter Systems".
      Macromolecular Theory and Simulations 20(444–445), 2011.
      [PDF] (88 KB) [DOI]
    • Marco Klinkigt and Rudolf Weeber and Sofia Kantorovich and Christian Holm.
      "System of particles with shifted magnetic dipoles".
      Magnetohydrodynamics 47(143–148), 2011.
      [PDF] (400 KB)
    • Pedro A. Sánchez and Juan J. Cerdà and Vincent Ballenegger and Tomas Sintes and Oreste Piro and Christian Holm.
      "Semiflexible magnetic filaments near attractive flat surfaces: a Langevin dynamics study".
      Soft Matter 7(5)(1809–1818), 2011.
      [PDF] (648 KB) [DOI]
    • Elena Pyanzina and Sofia Kantorovich and Juan J. Cerdà and Christian Holm.
      "Structure factor of ferrofluids with chain aggregates: Theory and computer simulations".
      Journal of Magnetism and Magnetic Materials 323(10)(1263–1268), 2011.
      [PDF] (450 KB) [DOI]
    • Taisia Prokopyeva and Victor Danilov and Alla Dobroserdova and Sofia Kantorovich and Christian Holm.
      "Ground state structures in ferrofluid monolayers".
      Journal of Magnetism and Magnetic Materials 323(10)(1298–1301), 2011.
      [PDF] (459 KB) [DOI]
    • Stefan Kesselheim and Marcello Sega and Christian Holm.
      "Applying ICC* to DNA translocation. Effect of dielectric boundaries".
      Computer Physics Communications 182(1)(33–35), 2011.
      [PDF] (197 KB)
    • Juan J. Cerdà and Vincent Ballenegger and Christian Holm.
      "Particle-particle particle-mesh method for dipolar interactions: On error estimates and efficiency of schemes with analytical differentiation and mesh interlacing".
      The Journal of Chemical Physics 135(184110), 2011.
      [PDF] (627 KB) [DOI]
    • Juan J. Cerda and Ekaterina Elfimova and Vincent Ballenegger and Ekaterina Krutikova and Alexey Ivanov and Christian Holm.
      "Study of the structure factor anisotropy and long range correlations of ferrofluids in the dilute low-coupling regime".
      Journal of Magnetism and Magnetic Materials 323(10)(1246–1253), 2011.
      [PDF] (431 KB) [DOI]
    • Baofu Qiao and Marcello Sega and Christian Holm.
      "An atomistic study of a poly(styrene sulfonate)/poly(diallyldimethylammonium) bilayer: the role of surface properties and charge reversal".
      Physical Chemistry Chemical Physics 13(16336–16342), 2011.
      [PDF] (5 MB) [DOI]
    • Bernward A. Mann and Olaf Lenz and Kurt Kremer and Christian Holm.
      "Hydrogels in Poor Solvents: A Molecular Dynamics Study".
      Macromolecular Theory and Simulations 20(721–734), 2011.
      Cover Issue
      [PDF] (2 MB) [DOI]
    • Sofia Kantorovich and Rudolf Weeber and Juan J. Cerdà and Christian Holm.
      "Ferrofluids with shifted dipoles: ground state structures".
      Soft Matter 7(11)(5217–5227), 2011.
      [PDF] (518 KB) [DOI]
    • Vincent Ballenegger and Joan J. Cerdà and Christian Holm.
      "Removal of spurious self-interactions in particle-mesh methods".
      Computer Physics Communications 182(9)(1919–1923), 2011.
      [PDF] (208 KB) [DOI] [URL]
    • Baofu Qiao and Juan J. Cerdà and Christian Holm.
      "Atomistic Study of Surface Effects on Polyelectrolyte Adsorption: Case Study of a Poly(styrenesulfonate) Monolayer".
      Macromolecules 44(6)(1707–1718), 2011.
      [PDF] (4 MB) [DOI]
    • Fatemeh Tabatabaei and Olaf Lenz and Christian Holm.
      "Simulational study of anomalous tracer diffusion in hydrogels".
      Colloid and Polymer Science 289(523–534), 2011.
      [PDF] (449 KB) [DOI] [URL]
    • Badr Kaoui and Jens Harting and Chaouqi Misbah.
      "Two-dimensional vesicle dynamics under shear flow: Effect of confinement".
      Physical Review E 83(066319), 2011.
      [PDF] (2 MB) [DOI]
    • J Hyväluoma and C Kunert and J Harting.
      "Simulations of slip flow on nanobubble-laden surfaces".
      Journal of Physics: Condensed Matter 23(184106), 2011.
      [PDF] (561 KB) [DOI]
    • Florian Janoschek and Federico Toschi and Jens Harting.
      "Simulations of Blood Flow in Plain Cylindrical and Constricted Vessels with Single Cell Resolution".
      Macromolecular Theory and Simulations 20(562–570), 2011.
      [PDF] (724 KB) [DOI]
    • F. Janoschek and F. Mancini and J. Harting and F. Toschi.
      "Rotational behaviour of red blood cells in suspension: a mesoscale simulation study".
      Philosophical Transactions of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences 369(2337–2344), 2011.
      [PDF] (421 KB) [DOI]
    • C. Gutsche and M. M. Elmahdy and K. Kegler and I. Semenov and T. Stangner and O. Otto and O. Ueberschär and U. F. Keyser and M. Krueger and M. Rauscher and R. Weeber and J. Harting and Y. W. Kim and V. Lobaskin and R. R. Netz and F. Kremer.
      "Micro-rheology on (polymer-grafted) colloids using optical tweezers".
      Journal of Physics: Condensed Matter 23(184114), 2011.
      [PDF] (2 MB) [DOI]
    • Christian Kunert and Jens Harting.
      "Lattice Boltzmann simulations of liquid film drainage between smooth surfaces".
      Ima Journal of Applied Mathematics 76(761–773), 2011.
      [PDF] (273 KB) [DOI]
    • Fabian Jansen and Jens Harting.
      "From bijels to Pickering emulsions: A lattice Boltzmann study".
      Physical Review E 83(046707), 2011.
      [PDF] (2 MB) [DOI]
    • Mohammad Kalteh and Abbas Abbassi and Majid Saffar-Avval and Jens Harting.
      "Eulerian-Eulerian two-phase numerical simulation of nanofluid laminar forced convection in a microchannel".
      International Journal of Heat and Fluid Flow 32(107–116), 2011.
      [PDF] (650 KB) [DOI]
    • Sebastian Schmieschek and Jens Harting.
      "Contact Angle Determination in Multicomponent Lattice Boltzmann Simulations".
      Communications in Computational Physics 9(1165–1178), 2011.
      [DOI]


2010

    • Christian Krekeler and Florian Dommert and Jochen Schmidt and Yuan Yuan Zhao and Christian Holm and Robert Berger and Luigi Delle Site.
      "Electrostatic properties of liquid 1,3-dimethylimidazolium chloride: role of local polarization and effect of the bulk.".
      Physical Chemistry Chemical Physics 12(8)(1817–1821), 2010.
      [PDF] (822 KB) [DOI]
    • Mehmet Sayar and Christian Holm.
      "Equilibrium polyelectrolyte bundles with different multivalent counterion concentrations".
      Physical Review E 82(3)(031901), 2010.
      [PDF] (374 KB) [DOI]
    • Owen A. Hickey and Christian Holm and James L. Harden and Gary W. Slater.
      "Implicit Method for Simulating Electrohydrodynamics of Polyelectrolytes".
      Physical Review Letters 105(14)(148301), 2010.
      [PDF] (204 KB) [DOI]
    • Juan J. Cerdà and Ekaterina Elfimova and Vincent Ballenegger and Ekaterina Krutikova and Alexey Ivanov and Christian Holm.
      "Behavior of bulky ferrofluids in the diluted low-coupling regime: Theory and simulation".
      Physical Review E 81(011501), 2010.
      [PDF] (375 KB) [DOI]
    • Baofu Qiao and Juan J. Cerdà and Christian Holm.
      "Poly(styrenesulfonate)-Poly(diallyldimethylammonium) Mixtures: Toward the Understanding of Polyelectrolyte Complexes and Multilayers via Atomistic Simulations".
      Macromolecules 43(18)(7828–7838), 2010.
      [PDF] (3 MB) [DOI]
    • Alexey Neelov and Christian Holm.
      "Interlaced P3M algorithm with analytical and ik-differentiation".
      The Journal of Chemical Physics 132(23)(234103), 2010.
      [PDF] (337 KB) [DOI]
    • Kai Grass and Christian Holm.
      "Mesoscale modelling of polyelectrolyte electrophoresis".
      Faraday Discussions 144(57–70), 2010.
      [PDF] (984 KB) [DOI]
    • M. Hecht and J. Harting.
      "Implementation of on-site velocity boundary conditions for D3Q19 lattice Boltzmann".
      Journal of Statistical Mechanics: Theory and Experiment 01(P01018), 2010.
      [PDF] (579 KB) [Preprint] [DOI]
    • Sandeep Tyagi and Mehmet Süzen and Marcello Sega and Marcia C. Barbosa and Sofia S. Kantorovich and Christian Holm.
      "An iterative, fast, linear-scaling method for computing induced charges on arbitrary dielectric boundaries".
      The Journal of Chemical Physics 132(154112), 2010.
      [PDF] (267 KB) [DOI]
    • Han Wang and Florian Dommert and Christian Holm.
      "Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency".
      The Journal of Chemical Physics 133(3)(034117), 2010.
      [PDF] (281 KB) [DOI]
    • Florian Dommert and Jochen Schmidt and Christian Krekeler and Yuan Yuan Zhao and Robert Berger and Luigi Delle Site and Christian Holm.
      "Towards multiscale modeling of ionic liquids: From electronic structure to bulk properties".
      Journal of Molecular Liquids 152(2–8), 2010.
      [PDF] (990 KB) [DOI]
    • Jochen Schmidt and Christian Krekeler and Florian Dommert and Yuanyuan Zhao and Robert Berger and Luigi Delle Site and Christian Holm.
      "Ionic Charge Reduction and Atomic Partial Charges from First-Principles Calculations of 1,3-Dimethylimidazolium Chloride".
      The Journal of Physical Chemistry B 114(18)(6150–6155), 2010.
      [PDF] (345 KB) [DOI]
    • Bastian Schäfer and Martin Hecht and Jens Harting and Hermann Nirschl.
      "Agglomeration and filtration of colloidal suspensions with DLVO interactions in simulation and experiment".
      Journal of Colloid and Interface Science , 2010.
      (in press.)
      [PDF] (755 KB) [Preprint] [DOI]
    • Martin Horsch and Martina Heitzig and Calin Dan and Jens Harting and Hans Hasse and Jadran Vrabec.
      "Contact Angle Dependence on the Fluid-Wall Dispersive Energy".
      Langmuir 26(10913–10917), 2010.
      [PDF] (2 MB) [DOI]
    • Ariel Narvaez Salazar and Jens Harting.
      "Evaluation of Pressure Boundary Conditions for Permeability Calculations Using the Lattice-Boltzmann Method".
      Advances in Applied Mathematics and Mechanics 2(685–700), 2010.
      [PDF] (352 KB)
    • Jens Harting and Christian Kunert and Jari Hyväluoma.
      "Lattice Boltzmann simulations in microfluidics: probing the no-slip boundary condition in hydrophobic, rough, and surface nanobubble laden microchannels".
      Microfluids and Nanofluids 8(1–10), 2010.
      [PDF] (530 KB) [DOI]
    • Ariel Narvaez and Thomas Zauner and Frank Raischel and Rudolf Hilfer and Jens Harting.
      "Quantitative analysis of numerical estimates for the permeability of porous media from lattice-Boltzmann simulations".
      Journal of Statistical Mechanics-Theory and Experiment 2010(P11026), 2010.
      [PDF] (816 KB) [DOI]
    • Christian Kunert and Jens Harting and Olga I. Vinogradova.
      "Random-Roughness Hydrodynamic Boundary Conditions".
      Physical Review Letters 105(016001), 2010.
      [PDF] (292 KB) [DOI]
    • F. Janoschek and F. Toschi and J. Harting.
      "Simplified particulate model for coarse-grained hemodynamics simulations".
      Physical Review E 82(056710), 2010.
      [PDF] (391 KB) [DOI]
    • Martin Hecht and Jens Harting.
      "Using Computational Steering to Explore the Parameter Space of Stability in a Suspension".
      In High Performance Computing in Science and Engineering '09.
      Springer, 2010.
      [DOI]
    • P. Ojeda-May and M. E. Garcia.
      "Electric Field-Driven Disruption of a Native beta-Sheet Protein Conformation and Generation of a Helix-Structure".
      Biophysical Journal 99(595–599), 2010.


2009

    • Entry "ahmed09c" not found!
    • M. Hecht and J. Harting.
      "Using computational steering to explore the parameter space of stability in a suspension".
      In High Performance Computing in Science and Engineering '09, volume of Transactions of the High Performance Computing Center. Editors: M. Resch W. Nagel, D. Kröner,
      Springer, 2009.
      [PDF] (628 KB)
    • Nayaz Khalid Ahmed and Martin Hecht.
      "A Lattice Boltzmann study of flow along patterned surfaces and through channels with alternating slip length".
      accepted accepted as a contribution to the ICCMS 2010, Sanya, China, January 22-24, 2010.
      [PDF] (990 KB) [Preprint]
    • M. Hecht and J. Harting.
      "Computational Steering of Cluster Formation in Brownian Suspensions".
      Computers and Mathematics with Applications 58(995–1002), 2009.
      [PDF] (399 KB) [Preprint] [DOI]
    • Nayaz Khalid Ahmed and Martin Hecht.
      "A boundary condition with adjustable slip length for Lattice Boltzmann simulations".
      Journal of Statistical Mechanics (P09017), 2009.
      [PDF] (834 KB) [Preprint] [DOI]
    • Mehmet Süzen and Marcello Sega and Christian Holm.
      "Ensemble inequivalence in single-molecule-experiments".
      Physical Review E 79(051118), 2009.
      [PDF] (269 KB) [DOI]
    • Taisia Prokopieva and Victor Danilov and Sofia Kantorovich and Christian Holm.
      "Ground state structures in ferrofluid monolayers".
      Physical Review E 80(3)(031404), 2009.
      [PDF] (616 KB) [DOI]
    • Smiatek, Jens and Sega, Marcello and Holm, Christian and Schiller, Ulf D. and Schmid, Friederike.
      "Mesoscopic simulations of the counterion-induced electro-osmotic flow: A comparative study".
      The Journal of Chemical Physics 130(244702), 2009.
      [PDF] (370 KB) [DOI]
    • Gil C. Claudio and Kurt Kremer and Christian Holm.
      "Comparison of a hydrogel model to the Poisson-Boltzmann cell model".
      The Journal of Chemical Physics 131(9)(094903), 2009.
      [PDF] (453 KB) [DOI]
    • Vincent Ballenegger and Axel Arnold and Joan J. Cerdà.
      "Simulations of non-neutral slab systems with long-range electrostatic interactions in two-dimensional periodic boundary conditions".
      The Journal of Chemical Physics 131(9)(094107), 2009.
      [PDF] (204 KB) [DOI]
    • Juan J. Cerdà and Tomás Sintes and Raúl Toral.
      "Spherical brushes within spherical cavities: A self-consistent field and Monte Carlo study".
      The Journal of Chemical Physics 131(13)(134901), 2009.
      [PDF] (286 KB) [DOI]
    • Juan J. Cerdà and Baofu Qiao and Christian Holm.
      "Understanding polyelectrolyte multilayers: an open challenge for simulations".
      Soft Matter 5(4412–4425), 2009.
      [PDF] (2 MB) [DOI]
    • Juan J. Cerdà and Baofu Qiao and Christian Holm.
      "Modeling strategies for polyelectrolyte multilayers".
      European Journal of Physics Special Topics 177(1)(129–148), 2009.
      [PDF] (971 KB) [DOI]
    • Kai Grass and Christian Holm.
      "Polyelectrolytes in electric fields: Measuring the dynamical effective charge and effective friction".
      Soft Matter 5(2079–2092), 2009.
      [PDF] (4 MB) [DOI]
    • Kai Grass and Christian Holm and Gary W. Slater.
      "Optimizing end-labeled free-solution electrophoresis by increasing the hydrodynamic friction of the drag labels".
      Macromolecules 42(14)(5352–5359), 2009.
      http://arxiv.org/abs/0902.1889
      [DOI]


2008

    • Axel Arnold and Christian Holm.
      "Interactions of like-charged rods at low temperatures: Analytical theory vs. simulations".
      European Physical Journal E 27(1)(21–29), 2008.
      [PDF] (343 KB) [DOI]
    • Vincent Ballenegger and Joan J. Cerdà and Olaf Lenz and Christian Holm.
      "The optimal P3M algorithm for computing electrostatic energies in periodic systems".
      The Journal of Chemical Physics 128(3)(034109), 2008.
      [PDF] (426 KB) [Preprint] [DOI]
    • Juan J. Cerdà and Sofia Kantorovich and Christian Holm.
      "Aggregate formation in ferrofluid monolayers: simulations and theory".
      Journal of Physics: Condensed Matter 20(204125), 2008.
      [PDF] (342 KB) [DOI]
    • Juan J. Cerdà and Vincent Ballenegger and Olaf Lenz and Christian Holm.
      "P3M algorithm for dipolar interactions.".
      The Journal of Chemical Physics 129(234104), 2008.
      [PDF] (516 KB) [Preprint] [DOI]
    • Juan J. Cerdà and Tomás Sintes and C. Holm and C. M. Sorensen and A. Chakrabarti.
      "Shear effects on crystal nucleation in colloidal suspensions".
      Physical Review E 78(031403), 2008.
      [PDF] (1001 KB) [DOI]
    • Florian Dommert and Jochen Schmidt and Baofu Qiao and Yuanyuan Zhao and Christian Krekeler and Luigi Delle Site and Robert Berger and Christian Holm.
      "A comparative study of two classical force fields on statics and dynamics of [EMIM][BF$_4$] investigated via molecular dynamics simulations".
      The Journal of Chemical Physics 129(22)(224501), 2008.
      [PDF] (642 KB) [DOI]
    • Kai Grass and Ute Böhme and Ulrich Scheler and Hervé Cottet and Christian Holm.
      "Importance of Hydrodynamic Shielding for the Dynamic Behavior of Short Polyelectrolyte Chains".
      Physical Review Letters 100(096104), 2008.
      [PDF] (115 KB) [DOI]
    • C. Gutsche and K. Kremer and M. Krüger and M. Rauscher and R. Weeber and J. Harting.
      "Colloids dragged through a polymer solution: experiment, theory and simulation".
      The Journal of Chemical Physics 129(084902), 2008.
      [PDF] (786 KB) [Preprint]
    • J. Harting and H. J. Herrmann and E. Ben-Naim.
      "Anomalous distribution functions in sheared suspensions".
      Europhysics Letters 83(30001), 2008.
      arXiv:0707.4356
      [PDF] (282 KB)
    • J. Harting and C. Kunert.
      "Boundary effects in microfluidic setups".
      NIC Symposium 2008 , volume 39 of NIC series, pages 221, Editors: M. Kremer G. Münster, D. Wolf, , 2008.
      Unknown publisher.
      http://www.fzjuelich.de/nic-series/volume39/
      [PDF] (472 KB)
    • J. Harting and C. Kunert and J. Hyväluoma.
      "Lattice Boltzmann simulations in microfluidics: probing the boundary condition".
      Proceedings of the 1st European Conference on Microfluidics - Microfluidics 2008 , 2008.
      [PDF] (840 KB)
    • J. Harting and T. Zauner and R. Weeber and R. Hilfer.
      "Flow in porous media and driven colloidal suspensions".
      2008.
      [PDF] (594 KB)
    • H. J. Herrmann and J. Harting and M. Hecht and E. Ben-Naim.
      "Simulation of dense colloids".
      Brazilian Journal of Physics 38(37), 2008.
      [PDF] (399 KB)
    • R. Hilfer.
      "Threefold Introduction to Fractional Derivatives".
      In Anomalous Transport: Foundations and Applications, chapter 1. Editors: R. Klages et al.,
      Wiley-VCH, Weinheim, 2008.
      ISBN-10: 3-527-40722-7
      [PDF] (530 KB)
    • J. Hyväluoma and J. Harting.
      "Slip flow over structured surfaces with entrapped microbubbles".
      Physical Review Letters 100(246001), 2008.
      arXiv:0801.1448
      [PDF] (233 KB)
    • Sofia Kantorovich and Juan J. Cerdà and Christian Holm.
      "Microstructure analyisis of monodisperse ferrofluid monolayers: theory and simulation".
      Physical Chemistry Chemical Physics 10(14)(1883–1895), 2008.
      [PDF] (2 MB) [DOI]
    • C. Kunert and J. Harting.
      "On the effect of surfactant adsorption and viscosity change on apparent slip in hydrophobic microchannels".
      Progress in Computational Fluid Dynamics 8(197), 2008.
      cond-mat/0610034
      [PDF] (432 KB)
    • C. Kunert and J. Harting.
      "Simulation of fluid flow in hydrophobic rough microchannels".
      International Journal of Computational Fluid Dynamics , volume 22 of , pages 475, , 2008.
      Unknown publisher.
      arXiv:0709.3966
      [PDF] (118 KB) [DOI]
    • Olaf Lenz and Christian Holm.
      "Simulation of charge reversal in salty environments: Giant overcharging?".
      European Physical Journal E 26(191–195), 2008.
      [PDF] (309 KB) [Preprint] [DOI]
    • P. G. Lind.
      "The network approach: basic concepts and algorithms".
      2008.
      to appear in Lectures on Socio- and Econophysics J.Schneider and C.Hirtreiter, Springer, 2008; arXiv:0711.3972
    • P. G. Lind and H. J. Herrmann.
      "Approaches from statistical physics to model and study social networks".
      In Statistical Mechanics Research. Editors: Byung-Soo Kim,
      Nova Publishers, 2008.
      in press
    • P. G. Lind and R. Mahmoodi-Baram and H. J. Herrmann.
      "Obtaining the size distributions of fault gouges with polydisperse bearings".
      Physical Review E 77(021304), 2008.
      arXiv:0711.1791
    • A. A. Pe\ na and P. G. Lind and H. J. Herrmann.
      "Modeling slow deformation of polygonal particles using DEM".
      2008.
      Particuology, accepted (2008); arXiv:0712.0919
    • A. A. Pe\ na and S. McNamara and P. G. Lind and H. J. Herrmann.
      "Avalanches in anisotropic sheared granular media".
      2008.
      Granular Matter, accepted, 2008; arXiv:0801.0862
    • Baofu Qiao and Christian Krekeler and Robert Berger and Luigi Delle Site and Christian Holm.
      "Effect of Anions on Static Orientational Correlations, Hydrogen Bonds, and Dynamics in Ionic Liquids: A Simulational Study".
      The Journal of Physical Chemistry B 112(6)(1743–1751), 2008.
      [PDF] (361 KB) [DOI]
    • H. J. Seybold and R. Hilfer.
      "Numerical Algorithm for Calculating the Generalized Mittag-Leffler Function".
      SIAM Journal on Numerical Analysis 47(1)(69–88), 2008.
      doi: 10.1137/070700280
      [PDF] (2 MB) [DOI]
    • Sandeep Tyagi and Axel Arnold and Christian Holm.
      "Electrostatic layer correction with image charges: A linear scaling method to treat slab 2D + h systems with dielectric interfaces".
      The Journal of Chemical Physics 129(20)(204102), 2008.
      [PDF] (222 KB) [DOI]


2007

    • Dmytro Antypov and Christian Holm.
      "Osmotic Coefficient Calculations for Dilute Solutions of Short Stiff-Chain Polyelectrolytes".
      Macromolecules 40(3)(731–738), 2007.
      [PDF] (182 KB) [DOI]
    • B. Biswal and P. E. Øren and S. Bakke and R. J. Held and R. Hilfer.
      "Stochastic multiscale model for carbonate rocks".
      Physical Review E 75(6)(061303), 2007.
      [PDF] (364 KB)
    • R. Bürger and A. Narváez.
      "Steady-state, control, and capacity calculations for flocculated suspensions in clarifier-thickeners".
      International Journal of Mineral Processing 84(274–298), 2007.
    • O. Durán and H. J. Herrmann and L. P. Maia.
      "Evolution of Parabolic dunes in the northeastern Brazil".
      2007.
      in preparation
    • O. Durán and V. Schwämmle and H. J. Herrmann.
      "Barchan dune's size distribution induced by collisions".
      2007.
      submitted to Geophys. Res. Lett.; e-print: cond-mat/0701370
    • O. Durán and V. Schwämmle and P. G. Lind and H. J. Herrmann.
      "How barchan dunes distribute over desert".
      2007.
      submitted to PRL; e-print: cond-mat/0701367
    • M. C. Gonzaléz and H. J. Herrmann and J. Kertész and T. Vicsek.
      "Community structure and ethnic preferences in school friendship networks".
      Physica A , 2007.
      [Preprint] [DOI]
    • J. Harting and G. Giupponi.
      "Lattice Boltzmann simulations of microemulsions and binary immiscible fluids under shear".
      In High Performance Computing in Science and Engineering '07, pages 457–470. Editors: Dietmar Kröner Wolfgang E. Nagel and Michael Resch,
      Springer, 2007.
      doi:10.1007/978-3-540-74739-0_4
      [PDF] (476 KB)
    • J. Harting and G. Giupponi and P. V. Coveney.
      "Structural transitions and arrest of domain growth in sheared binary immiscible fluids and microemulsions".
      Physical Review E 75(041504), 2007.
      Within this project we received the HLRS Golden Spike Award in 2006, cond-mat/0701330
      [PDF] (829 KB)
    • J. Harting and M. Hecht and C. Kunert and R. Weeber.
      "Mesoscopic simulations of particle-laden flows".
      inSide 5(2)(7), 2007.
      [PDF] (470 KB)
    • M. Hecht.
      "Simulation of Peloids".
      PhD thesis, Universität Stuttgart, Germany, 2007.
      [PDF] (3 MB) [URL]
    • M. Hecht and J. Harting.
      "Structural Transitions in Colloidal Suspensions".
      In High Performance Computing in Science and Engineering '07, pages 45–65. Editors: Dietmar Kröner Wolfgang E. Nagel and Michael Resch,
      Springer, 2007.
      [PDF] (358 KB) [DOI]
    • M. Hecht and J. Harting and H. J. Herrmann.
      "Formation and growth of clusters in colloidal suspensions".
      International Journal of Modern Physics C 18(4)(501–510), 2007.
      [PDF] (633 KB) [Preprint] [DOI]
    • M. Hecht and J. Harting and H. J. Herrmann.
      "Stability Diagram for Dense Suspensions of Model Colloidal Al2O3-Particles in Shear Flow".
      Physical Review E 75(5)(051404), 2007.
      [PDF] (401 KB) [Preprint] [DOI]
    • Berk Hess and Mehmet Sayar and Christian Holm.
      "Stability of Hydrophobically Modified Poly(\it p-phenylene)sulfonate Bundles as Observed by Molecular Dynamics Simulation".
      Macromolecules , 2007.
      [PDF] (239 KB)
    • Ivanov, Alexey O. and Kantorovich, Sofia S. and Reznikov, Evgeniy N. and Holm, Christian and Pshenichnikov, Alexander F. and Lebedev, Alexander V. and Chremos, Alexandros and Camp, Philip J..
      "Magnetic properties of polydisperse ferrofluids: A critical comparison between experiment, theory and computer simulation".
      Physical Review E 75(061405), 2007.
      [PDF] (339 KB) [DOI]
    • C. Kunert and J. Harting.
      "Roughness Induced Boundary Slip in Microchannel Flows".
      Physical Review Letters 99(176001), 2007.
      URL: http://link.aps.org/abstract/PRL/v99/e176001
      [PDF] (241 KB)
    • N. Levin and H. Tsoar and L. P. Maia and V. Claudino-Sales and H. J. Herrmann and O. Durán.
      "Modeling the formation of vegetated arcuate marks behind barchan dunes in NE Brazil".
      2007.
      submitted
    • P. G. Lind and J. S. Andrade Jr. and L. R. da Silva and H. J. Herrmann.
      "Spreading gossip in social networks".
      Physical Review E 76(036117), 2007.
      arXiv:0705.3224
    • P. G. Lind and J. S. Andrade Jr. and L. R. da Silva and H. J. Herrmann.
      "The spread of gossip in American schools".
      Europhysics Letters 78(68005), 2007.
      cond-mat/0603824
    • P. G. Lind and H. J. Herrmann.
      "New approaches to model and study social networks".
      New Journal of Physics 9(228), 2007.
      physics/0701107.
    • P. G. Lind and A. Mora and Jason A. C. Gallas and M. Haase.
      "Minimizing stochasticity in the NAO index".
      International Journal of Bifurcation and Chaos 17((10))(3461–3466), 2007.
    • Vladimir Lobaskin and Burkhard Dünweg and Martin Medebach and Thomas Palberg and Christian Holm.
      "Electrophoresis of Colloidal Dispersions in the Low-Salt Regime".
      Physical Review Letters 98(176105), 2007.
      [PDF] (169 KB) [DOI]
    • E. J. R. Parteli and O. Durán and H. J. Herrmann.
      "Minimal size of a barchan dune".
      Physical Review E 75(011301), 2007.
    • E. J. R. Parteli and O. Durán and V. Schwämmle and H. J. Herrmann and H. Tsoar.
      "Modeling seif dunes".
      2007.
      preprint
    • E. J. R. Parteli and H. J. Herrmann.
      "Saltation transport on Mars".
      Physical Review Letters 98(198001), 2007.
      [PDF] (231 KB)
    • M. Sayar and C. Holm.
      "Finite Size Polyelectrolyte Bundles at Thermodynamic Equilibrium".
      Europhysics Letters 77(16001), 2007.
      [PDF] (328 KB) [Preprint] [DOI]
    • Sandeep Tyagi and Axel Arnold and Christian Holm.
      "ICMMM2D: An accurate method to include planar dielectric interfaces via image charge summation".
      The Journal of Chemical Physics 127(154723), 2007.
      [PDF] (305 KB) [DOI]


2006

    • M. P. Almeida and J. S. Andrade Jr. and H. J. Herrmann.
      "Aeolian transport layer".
      Physical Review Letters (1)(018001), 2006.
      e-print: cond-mat/0505626
    • Dmytro Antypov and Christan Holm.
      "Optimal cell approach to osmotic properties of finite stiff-chain polyelectrolytes".
      Physical Review Letters 96(088302), 2006.
      [PDF] (163 KB) [DOI]
    • L. de Arcangelis and C. P. Capano and H. J. Herrmann.
      "Self-organized criticality model for brain plasticity".
      Physical Review Letters 96(028107), 2006.
      also in Virt. J. of Biol. Phys., Feb. 1 2006; e-print: cond-mat/0411573; e-print: q-bio.NC/0411043
    • Axel Arnold and Bernward A. Mann and Christian Holm.
      "Simulating Charged Systems with ESPResSo".
      In Computer Simulations in Condensed Matter: from Materials to Chemical Biology, volume of Lecture Notes in Physics, pages 193–222. Editors: M. Ferrario and G. Ciccotti and K. Binder,
      Springer, Berlin, Germany, 2006.
      [PDF] (2 MB) [DOI]
    • B. Biswal and B. R. Niranjan and G. Ullal and C. Dasgupta.
      "Computational modeling of the dependence of kindling rate on network properties".
      Physica A: Statistical Mechanics and its Applications 364(565–580), 2006.
      [PDF] (295 KB)
    • F. Boettcher and J. Peinke and D. Kleinhans and R. Friedrich and P. G. Lind and M. Haase.
      "Reconstruction of complex dynamical systems affected by strong measurement noise".
      Physical Review Letters 97(090603), 2006.
      e-print: nlin.CD/0607002
    • R. Bürger and F. Concha and K. Karlsen and A. Narváez.
      "Numerical simulation of clarifier-thickener units treating ideal suspensions with a flux density function having two inflection points".
      Mathematical and Computer Modelling 44(255–275), 2006.
    • O. Durán and H. J. Herrmann.
      "Modelling of saturated sand flux".
      Journal of Statistical Mechanics (P07011), 2006.
      doi:10.1088/1742-5468/2006/07/P07011
    • O. Durán and H. J. Herrmann.
      "Vegetation against dune mobility".
      Physical Review Letters 97(188001), 2006.
      e-print: cond-mat/0609277
    • E. Gerolymatou and I. Vardoulakis and R. Hilfer.
      "Modeling Infiltration by Means of a Fractional Diffusion Equation".
      Journal of Physics D 39(4104–4110), 2006.
      [PDF] (443 KB)
    • E. Gerolymatou and I. Vardoulakis and R. Hilfer.
      "Modelling infiltration by means of a nonlinear fractional diffusion model".
      Journal of Physics D 39(4104–4110), 2006.
      [PDF] (443 KB)
    • G. Giupponi and J. Harting and P. V. Coveney.
      "Emergence of rheological properties in lattice Boltzmann simulations of gyroid mesophases".
      Europhysics Letters 73(533–539), 2006.
      cond-mat/0601295, doi:10.1209/epl/i2005-10438-x
      [PDF] (248 KB)
    • M. C. Gonzaléz and P. G. Lind and H. J. Herrmann.
      "A system of mobile agents to model social networks".
      Physical Review Letters 96(088702), 2006.
      [Preprint]
    • M. C. Gonzaléz and P. G. Lind and H. J. Herrmann.
      "Model of mobile agents for sexual interactions networks".
      European Physical Journal B 49(371–376), 2006.
      [Preprint]
    • M. C. Gonzaléz and P. G. Lind and H. J. Herrmann.
      "Networks based on collisions among mobile agents".
      Physica D 224(137–148), 2006.
      [Preprint]
    • M. C. Gonzaléz and A. O. Sousa and H. J. Herrmann.
      "Renormalizing Sznajd model on complex networks taking into account the effects of growth mechanisms".
      EPJ B 49(253–257), 2006.
      [Preprint]
    • K. Gupta and H. P. Singh and B. Biswal and R. Ramaswamy.
      "Adaptive targeting of chaotic response in periodically stimulated neural systems".
      Chaos: An Interdisciplinary Journal of Nonlinear Science 16(2)(023116), 2006.
      [PDF] (150 KB)
    • J. Harting and G. Giupponi.
      "Rheological properties of binary and ternary amphiphilic fluid mixtures".
      In High Performance Computing in Science and Engineering '06, volume of Transactions of the High Performance Computing Center. Editors: M. Resch W. Nagel, W. Jäger,
      Springer, 2006.
      [PDF] (245 KB)
    • J. Harting and M. Hecht and H. J. Herrmann.
      "Simulation of particle suspensions at the Institute for Computational Physics".
      In High Performance Computing in Science and Engineering '06, volume of Transactions of the High Performance Computing Center. Editors: M. Resch W. Nagel, W. Jäger,
      Springer, 2006.
      [PDF] (245 KB)
    • J. Harting and M. Hecht and H. J. Herrmann and S. McNamara.
      "Computer simulation of particle suspensions".
      Multifield Problems in Solid and Fluid Mechanis, Lecture Notes in Applied and Computational Mechanics 28, Springer , 2006.
      cond-mat/0606167
      [PDF] (604 KB)
    • J. Harting and A. Komnik and H. J. Herrmann.
      "Lattice-Boltzmann Simulations of Transport Phenomena and Structuring in Suspensions".
      In Behavior of Granular Media. Editors: P. Walzel and S. Linz and Ch. Krülle and R. Grochowski,
      Shaker, 2006.
      [PDF] (87 KB)
    • J. Harting and C. Kunert and H. J. Herrmann.
      "Lattice Boltzmann simulations of apparent slip in hydrophobic microchannels".
      Europhysics Letters 75(328–334), 2006.
      physics/0509035, doi:10.1209/epl/i2006-10107-8
      [PDF] (162 KB)
    • M. Hecht and J. Harting and M. Bier and J. Reinshagen and H. J. Herrmann.
      "Shear Viscosity of Clay-like Colloids in Computer Simulations and Experiments".
      Physical Review E 74(2)(021403), 2006.
      [PDF] (332 KB) [Preprint] [DOI]
    • H. J. Herrmann.
      "Matrix Retina: Wie Bilder im Gehirn verarbeitet ind gespeichert werden".
      In Iconic Worlds, pages 60–66. Editors: C. Maar and H. Burda,
      Dumont, 2006.
    • H. J. Herrmann and R. Mahmoodi-Baram and M. Wackenhut.
      "Dense Packings".
      Brazilian Journal of Physics 36(610–613), 2006.
      Proceedings of conference in Ouro Preto
    • Hess, Berk and Holm, Christian and van der Vegt, Nico.
      "Modeling multi-body effects in ionic solutions with a concentration dependent dielectric permittivity".
      Physical Review Letters 96(147801), 2006.
      [PDF] (115 KB) [DOI]
    • Hess, Berk and Holm, Christian and van der Vegt, Nico.
      "Osmotic Coeffcients of atomistic NaCl (aq) force-fields".
      The Journal of Chemical Physics 124(164509), 2006.
      [PDF] (354 KB) [DOI]
    • R. Hilfer.
      "Capillary Pressure, Hysteresis and Residual Saturation in Porous Media".
      Physica A 359(119–128), 2006.
      [PDF] (167 KB)
    • R. Hilfer.
      "Macroscopic Capillarity and Hysteresis for Flow in Porous Media".
      Physical Review E 73(016307), 2006.
      [PDF] (135 KB)
    • R. Hilfer.
      "Macroscopic capillarity without a constitutive capillary pressure function".
      Physica A 371(209–225), 2006.
      [PDF] (297 KB)
    • R. Hilfer and H. J. Seybold.
      "Computation of the Generalized Mittag-Leffler Function and its Inverse in the Complex Plane".
      Integral Transforms and Special Functions 17(9)(637–652), 2006.
      [PDF] (3 MB)
    • Christian Holm and Alexey Ivanov and Sofia Kantorovich and Elena Pyanzina and Evgeniy Reznikov.
      "Equilibrium properties of a bidisperse ferrofluid with chain aggregates: theory and computer simulations".
      Journal of Physics: Condensed Matter 18(38)(S2737–S2756), 2006.
      [PDF] (2 MB) [DOI]
    • Christian Holm and Alexey Ivanov and Sofia Kantorovich and Elena Pyanzina.
      "Polydispersity influence upon magnetic properties of aggregated ferrofluids".
      Zeitschrift für Physikalische Chemie 220(105–115), 2006.
      [PDF] (261 KB) [DOI]
    • F. Kun and R. C. Hidalgo and F. Raischel and H. J. Herrmann.
      "Extension of fibre bundle models for creep rupture and interface failure".
      International Journal of Fracture 140(255–265), 2006.
    • Kun, F and Wittel, FK and Herrmann, HJ and Kröplin, BH and Måløy, KJ.
      "Scaling Behavior of Fragment Shapes".
      Physical Review Letters 96(2)(025504), 2006.
      e-print: cond-mat/0506686
    • Hans Jörg Limbach and Axel Arnold and B. A. Mann and Christian Holm.
      "ESPResSo – An Extensible Simulation Package for Research on Soft Matter Systems".
      Computer Physics Communications 174(9)(704–727), 2006.
      [PDF] (318 KB) [DOI]
    • P. G. Lind and A. Nunes and Jason A. C. Gallas.
      "Impact of bistability in the synchronization of chaotic maps with delayed coupling".
      Physica A 371(100–103), 2006.
      e-print: cond-mat/0512555
    • Bernward Mann and Christian Holm and Kurt Kremer.
      "The Swelling Behaviour of Charged Hydrogels".
      Macromolecular Symposia 237(90–107), 2006.
      [PDF] (563 KB) [DOI]
    • S. McNamara and M. Strauss and F. Zeller and H. J. Herrmann.
      "Simulations of dense-phase pneumatic conveying".
      In Behavior of Granular Media, pages 17–23. Editors: P. Walzel and S. Linz and Ch. Krülle and R. Grochowski,
      Shaker, 2006.
    • Frank Mühlbacher and Christian Holm and Helmut Schiessel.
      "Controlled DNA compaction within chromatin: The tail-bridging effect".
      Europhysics Letters 73(1)(135–141), 2006.
      [PDF] (273 KB) [DOI]
    • Frank Mühlbacher and Helmut Schiessel and Christian Holm.
      "Tail-induced attraction between nucleosome core particles".
      Physical Review E 74(031919), 2006.
      [PDF] (811 KB) [DOI]
    • E. J. R. Parteli and O. Durán and H. J. Herrmann.
      "The shape of the Barchan Dunes in the Arkhangelsky Crater on Mars".
      Proceedings of "Lunar and Planetary Science XXXVII" , pages 1827, , 2006.
      Unknown publisher.
    • E. J. R. Parteli and V. Schwämmle and H. J. Herrmann and L. H. U. Monteiro and L. P. Maia.
      "Profile measurement and simulation of a transverse dune field in the Lencois Maranhenses".
      Geomorphology 81(29–42), 2006.
      doi:10.1016/j.geomorph.2006.02.015; e-print: cond-mat/0410178
      [DOI]
    • D. R. Paula and A. D. Araújo and J. S. Andrade Jr. and H. J. Herrmann and Jason A. C. Gallas.
      "Periodic neural activity induced by network complexity".
      Physical Review E 74(017102), 2006.
      also in Virt. J. of Biol. Phys., August 1, 2006; e-print: cond-mat/0603396
    • F. Raischel and F. Kun and H. J. Herrmann.
      "Fiber bundle models for composite materials".
      Conference on Damage in Composite Materials , 2006.
      Unknown publisher.
    • F. Raischel and F. Kun and H. J. Herrmann.
      "Local load sharing fiber bundles with a lower cutoff of strength disorder".
      Physical Review E 74(035104 (R)), 2006.
      e-print: cond-mat/0607305
    • F. Raischel and F. Kun and R. C. Hidalgo and H. J. Herrmann.
      "Statistical Damage Models: Fiber Bundle Models".
      In Damage and its Evolution in Fiber-Composite Materials: Simulation and Non-Destructive Evaluation, pages 443–471.
      Universität Stuttgart, 2006.
    • V. Schatz and H. Tsoar and K. S. Edgett and E. J. R. Parteli and H. J. Herrmann.
      "Evidence for indurated sand dunes in the Martian north polar region".
      Journal of Geophysical Research 111(E4)(E04006), 2006.
      doi:10.1029/2005JE002514; also as abstract for EGU-2005
      [DOI]
    • V. Schwämmle.
      "Phase transition in a sexual age-structured model of learning foreign languages".
      International Journal of Modern Physics C 17(1)(103–111), 2006.
      e-print: physics/0509018
    • V. Schwämmle and E. Brigatti.
      "Speciational view of macroevolution: Are micro and macroevolution decoupled?".
      Europhysics Letters 75(342–348), 2006.
      doi:10.1209/epl/i2006-10095-7; e-print: q-bio.PE/0509032
      [DOI]
    • V. Schwämmle and M. C. Gonzaléz and A. A. Moreira and H. J. Herrmann and J. S. Andrade Jr..
      "The spread of opinions in a model with different topologies".
      2006.
      submitted to Phys. Rev. E; e-print: physics/0701169
    • V. Schwämmle and K. Luz-Burgoa and S. M. de Oliveira and J. S. Sá Martins.
      "Phase transition in a mean-field model for sympatric speciation".
      Physica A 369(2)(612–618), 2006.
      e-print: q-bio.PE/0508016
    • V. Schwämmle and A. O. Sousa and S. M. de Oliveira.
      "Monte Carlo Simulations of Parapatric Speciation".
      European Physical Journal B: Condensed Matter Physics 51(563–570), 2006.
      doi:10.1140/epjb/e2006-00251-5; e-print: q-bio.PE/0508017
      [DOI]
    • M. Strauss and H. J. Herrmann and S. McNamara and G. Niederreiter and K. Sommer.
      "Plug conveying in a vertical tube".
      Powder Technology 162(16–26), 2006.
      e-print: cond-mat/0407757
    • Stukan, Mikhail R. and Lobaskin, Vladimir A. and Holm, Christian and Vinogradova, Olga I..
      "Spatial distribution of polyelectrolyte and counterions in nanocapsules: A computer simulation study".
      Physical Review E 73(021801), 2006.
      [PDF] (616 KB) [DOI]
    • Sandeep Tyagi.
      "Evaluation of Coulomb potential in a triclinic cell with periodic boundary conditions".
      Molecular Physics 104(2433–2438), 2006.
    • Sandeep Tyagi.
      "Logarithmic interaction under periodic boundary conditions: closed form formulas for energy and forces".
      Molecular Physics 104(359–363), 2006.


2005

    • M. Alam and V. H. Arakeri and P. R. Nott and J. D. Goddard and H. J. Herrmann.
      "Instability-induced ordering, universal unfolding and the role of gravity in granular Couette flow".
      Journal of Fluid Mechanics 523(277–306), 2005.
      [PDF] (854 KB)
    • R. F. S. Andrade and H. J. Herrmann.
      "Magnetic models on Apollonian networks".
      Physical Review E 71(056131), 2005.
      e-print: cond-mat/0411364
    • Dmytro Antypov and Marcia C. Barbosa and Christian Holm.
      "A simple non-local approach to treat size correlations within Poisson-Boltzmann theory".
      Physical Review E 71(061106), 2005.
      [PDF] (138 KB)
    • Axel Arnold and Christian Holm.
      "Efficient methods to compute long range interactions for soft matter systems".
      In Advanced Computer Simulation Approaches for Soft Matter Sciences II, volume of Advances in Polymer Science, pages 59–109. Editors: C. Holm and K. Kremer,
      Springer, Berlin, 2005.
      [PDF] (2 MB) [DOI]
    • Axel Arnold and Christian Holm.
      "MMM1D: A method for calculating electrostatic interactions in 1D periodic geometries".
      The Journal of Chemical Physics 123(12)(144103), 2005.
      [PDF] (122 KB) [DOI]
    • B. Behera and F. Kun and S. McNamara and H. J. Herrmann.
      "Fragmentation of a circular disc by impact on a frictionless plate".
      Journal of Physics: Condensed Matter 17(S2439–S2456), 2005.
      e-print: cond-mat/0410726
    • B. Behera and F. Kun and S. McNamara and H. J. Herrmann.
      "Fragmentation of a circular disc by projectiles".
      cond-mat 0404057, 2005.
      submitted to Euro.Phys.J.B
    • C. T. David and R. García-Rojo and H. J. Herrmann and S. Luding.
      "Hysteresis and creep in powders and grains".
      Proceedings of Powders and Grains 2005 , pages 291–294, Editors: R. Garcia-Rojo and H. J. Herrmann and S. McNamara, , 2005.
      Balkema, Leiden.
      [PDF] (2 MB)
    • O. Durán and V. Schatz and H. J. Herrmann and H. Tsoar.
      "Transformation of Barchans into Parabolic Dunes under the Influence of Vegetation".
      Proceedings of Powders and Grains 2005 , pages 951–954,, Editors: R. Garcia-Rojo and H. J. Herrmann and S. McNamara, , 2005.
      Balkema, Leiden.
      e-print: cond-mat/0504621
    • O. Durán and V. Schwämmle and H. J. Herrmann.
      "Breeding and Solitary Wave Behavior of Dunes".
      Physical Review E 72(021308), 2005.
      e-print: cond-mat/0406392
    • F. Fonseca and H. J. Herrmann.
      "Simulation of the sedimentation of a falling oblate ellipsoid".
      Physica A 345(341–355), 2005.
      cond-mat/0301571
    • Jason A. C. Gallas and H. J. Herrmann.
      "Spontaneous emergence of spatio-temporal order in class 4 automata".
      Physica A 356(78–82), 2005.
      e-print: cond-mat/0505011
    • E. Gerolymatou and I. Vardoulakis and R. Hilfer.
      "Simulating the Saturation Front Using a Fractional Diffusion Model".
      Proceedings of the GRACM05 International Congress on Computational Mechanics, Limassol 2005 , pages 653, Editors: M. Papadrakakis G. Georgiou, P. Papanastasiou, , Athens, 2005.
      GRACM.
      [PDF] (486 KB)
    • G. González and P. G. Lind and H. J. Herrmann.
      "Model of mobile agents for sexual interaction networks".
      physics 0508145, 2005.
      submitted to EPJB
    • M. C. Gonzaléz and H. J. Herrmann and A. D. Araújo.
      "Cluster size distribution of infection in a system of mobile agents".
      Physica A 356(100–106), 2005.
      proceedings of Medyfinol in La Serena
      [PDF] (244 KB) [Preprint]
    • J. Harting and J. Chin and M. Venturoli and P. V. Coveney.
      "Large-scale lattice Boltzmann simulations of complex fluids: advances through the advent of computational grids".
      Philosophical Transactions of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences 363(1895–1915), 2005.
      doi:10.1098/rsta.2005.1618, cs.DC/0501021
      [PDF] (3 MB)
    • M. Hecht and J. Harting and T. Ihle and H. J. Herrmann.
      "Simulation of Claylike Colloids".
      Physical Review E 72(011408), 2005.
      [PDF] (438 KB) [Preprint] [DOI]
    • Olaf Herbst and R. Cafiero and A. Zippelius and H. J. Herrmann and S. Luding.
      "A driven two-dimensional granular gas with Coulomb friction".
      cond-mat 0501223, 2005.
    • H. J. Herrmann.
      "Dune formation".
      In Encyclopedia of Nonlinear Science, pages 238–240. Editors: A. Scott,
      Routledge, 2005.
      [PDF] (55 KB)
    • H. J. Herrmann.
      "Spuren im Sand".
      Physik Journal 4(57–60), 2005.
      [PDF] (280 KB)
    • H. J. Herrmann and J. S. Andrade Jr. and V. Schatz and G. Sauermann and E. J. R. Parteli.
      "Calculation of the separation streamlines of barchans and transverse dunes".
      Physica A 357(44–49), 2005.
      e-print: cond-mat/0410711
    • H. J. Herrmann and O. Durán and E. J. R. Parteli and V. Schatz.
      "Vegetation and induration as sand dunes stabilizators".
      Journal of Coastal Research , 2005.
      special issue: proceedings of ICS 2005
    • H. J. Herrmann and E. J. R. Parteli and V. Schwämmle and L. H. U. Monteiro and L. P. Maia.
      "The coastal dunes of the Lencois Maranhenses".
      Journal of Coastal Research , 2005.
      special issue: proceedings of ICS 2005
    • H. J. Herrmann and G. Sauermann and V. Schwämmle.
      "The morphology of dunes".
      Physica A 358(30–38), 2005.
      proceedings Marrakesch
      [PDF] (303 KB)
    • H. J. Herrmann and V. Schatz.
      "Numerical methods for aeolian transport".
      Computer Methods in Mechanics 2005 , pages 13–14, Editors: B. Mochnacki A. Garstecki and N. Sczygiol, , 2005.
      Czestochowa.
      [PDF] (163 KB)
    • R. C. Hidalgo and F. Kun and H. J. Herrmann.
      "Slow relaxation of fiber composites, variable range of interaction approach".
      Physica A 347(402–410), 2005.
      [PDF] (368 KB)
    • R. Hilfer.
      "Applications of Fractional Calculus in Physics".
      SICAM 1(97), 2005.
      [PDF] (110 KB)
    • R. Hilfer and B. Biswal and H. G. Mattutis and W. Janke.
      "Multicanonical Simulations of the Tails of the Order-Parameter Distribution of the two-dimensional Ising Model".
      Computer Physics Communications 169(230), 2005.
      [PDF] (260 KB)
    • Christian Holm.
      "The Physics of Overcharging".
      Traffic and Granular Flow '03 , pages 475–488, Editors: S. P. Hoogendoorn and S. Luding and P. H. L. Bovy and M. Schreckenberg and D. E. Wolf, , 2005.
      Springer Berlin Heidelberg.
      [PDF] (166 KB) [DOI]
    • Holm, Christian and Weis, Jean-Jacque.
      "The Structure of Ferrofluids: A Status Report".
      Current Opinion in Colloid & Interface Science 10(3)(133–140), 2005.
      [PDF] (166 KB) [DOI]
    • J. P. Huang and Z. W. Wang and C. Holm.
      "Computer simulations of the structure of colloidal ferrofluids.".
      Physical Review E 71(6 Pt 1)(061203), 2005.
      [PDF] (2 MB) [DOI]
    • J. P. Huang and Z. Wang and C. Holm.
      "Structure and magnetic properties of mono- and bi- dispersed ferrofluids as revealed by simulations".
      Journal of Magnetism and Magnetic Materials 289(234), 2005.
      [PDF] (113 KB) [DOI]
    • T. Joseph and R. Helmig and R. Hilfer.
      "Effects of Heterogeneity on Upscaling of Two Phase Flow in Anisotropic Porous Media".
      Physical Review E submitted(preprint), 2005.
    • F. Kun and F. K. Wittel and H. J. Herrmann and B. H. Kröplin.
      "Scaling laws of fragment shapes".
      2005.
      e-print: cond-mat/0506686
    • J. H. Lee and A. O. Sousa and E. J. R. Parteli and H. J. Herrmann.
      "Modelling formation and evolution of transverse dune fields".
      International Journal of Modern Physics C 12(16)(1879–1892), 2005.
      doi:10.1142/S0129183105008400; e-print: cond-mat/0501632
      [DOI]
    • Hans Jörg Limbach and Kurt Kremer and Christian Holm.
      "Computer Simulations of the ``Hairy Rod'' model".
      Macromolecular Chemistry and Physics 206(77–82), 2005.
      [PDF] (209 KB) [DOI]
    • P. G. Lind and Jason A. C. Gallas.
      "Inducing periodicity in lattices of chaotic maps with advection".
      Physica Scripta T118(143–147), 2005.
      e-print: cond-mat/0407082
    • P. G. Lind and M. C. Gonzaléz.
      "Cycles and clustering in bipartite networks".
      Physical Review E 72(056127), 2005.
      [PDF] (186 KB)
    • P. G. Lind and A. Mora and Jason A. C. Gallas and M. Haase.
      "Reducing stochasticity in the North Atlantic Oscillation index with coupled Langevin equations".
      Physical Review E 72(056706), 2005.
      [PDF] (2 MB)
    • S. Luding and K. Manetsberger and J. Muellers.
      "A discrete model for long time sintering".
      Journal of the Mechanics and Physics of Solids 53(2)(455–491), 2005.
      [PDF] (946 KB)
    • Bernward A. Mann and Christian Holm and Kurt Kremer.
      "Swelling of Polyelectrolyte Networks".
      The Journal of Chemical Physics 122(15)(154903), 2005.
      [PDF] (811 KB) [DOI]
    • S. McNamara and R. García-Rojo and H. J. Herrmann.
      "Indeterminacy and the Onset of Motion in a Simple Granular Packing".
      Physical Review E 72(021304), 2005.
      e-print: cond-mat/0408534
      [PDF] (145 KB)
    • S. McNamara and R. García-Rojo and H. J. Herrmann.
      "The stress-strain curve of cyclic loading: microscopic, analytical results".
      Proceedings of Powders and Grains 2005 , pages 295–299, Editors: R. Garcia-Rojo and H. J. Herrmann and S. McNamara, , 2005.
      Balkema, Leiden.
      [PDF] (147 KB)
    • F. Osanloo and S. McNamara and H. J. Herrmann.
      "A simple model of sediment transport".
      Proceedings of Powders and Grains 2005 , pages 1005–1008, Editors: R. Garcia-Rojo and H. J. Herrmann and S. McNamara, , 2005.
      Balkema, Leiden.
      [PDF] (214 KB)
    • E. J. R. Parteli.
      "Das sich entziehende Land - Zur Physik der Düne und des Treibsands".
      In Niemandsland - Topographische Ausflüge zwischen Wissenschaft und Kunst, pages 44–49. Editors: J. Badura and S. Schmidt,
      Universität Stuttgart, 2005.
      [PDF] (276 KB)
    • E. J. R. Parteli and M. A. F. Gomes and V. P. Brito.
      "Nontrivial temporal scaling in a Galilean stick-slip dynamics".
      Physical Review E 71(036137), 2005.
      [PDF] (91 KB)
    • E. J. R. Parteli and V. Schatz and H. J. Herrmann.
      "Barchan dunes on Mars and on Earth".
      Proceedings of Powders and Grains 2005 , pages 959–962, Editors: H. J. Herrmann R. Garcia-Rojo and S. McNamara, , Leiden, 2005.
      Balkema.
      [PDF] (343 KB)
    • A. A. Pe\ na and A. Lizcano and F. Alonso-Marroquin and H. J. Herrmann.
      "Investigation of the asymptotic states of granular materials using a discrete model of anisotropic particles".
      Proceedings of Powders and Grains 2005 , volume 1 of , pages 697–700, , 2005.
      Balkema.
    • F. Raischel and F. Kun and H. J. Herrmann.
      "Failure process of a bundle of plastic fibers".
      2005.
      e-print: cond-mat/0601290
    • F. Raischel and F. Kun and H. J. Herrmann.
      "Simple beam model for the shear failure of interfaces".
      Physical Review E 72(046126), 2005.
      e-print: cond-mat/0502122
      [PDF] (696 KB)
    • P. C. Rech and M. W. Beims and Jason A. C. Gallas.
      "Basin size evolution between dissipative and conservative limits".
      Physical Review E 71(017202), 2005.
      [PDF] (292 KB)
    • A. S. Ribeiro and P. G. Lind.
      "Effects of lattice structure in the dynamics of coupled elements".
      Physica Scripta T118(165–167), 2005.
      [PDF] (101 KB)
    • V. Schatz and H. J. Herrmann.
      "Flow separation in the lee of transverse dunes".
      Proceedings of Powders and Grains 2005 , pages 955–958, Editors: R. Garcia-Rojo and H. J. Herrmann and S. McNamara, , 2005.
      Balkema, Leiden.
      e-print: cond-mat/0501554
    • V. Schwämmle.
      "Simulation for competition of languages with an ageing sexual population".
      International Journal of Modern Physics C 16(10)(1519–1526), 2005.
      [DOI]
    • V. Schwämmle and H. J. Herrmann.
      "A model of Barchan dunes including lateral shear stress".
      European Physical Journal E 16(57–65), 2005.
      e-print: cond-mat/0304695
    • V. Schwämmle and H. J. Herrmann.
      "Reply to the discussion on ``Barchan Dunes: why they cannot be treated as `solitons' or `solitary waves'''".
      Earth Surface Processes and Landforms 30(517), 2005.
    • V. Schwämmle and S. M. de Oliveira.
      "Simulations of a mortality plateau in the sexual Penna model for biological ageing".
      Physical Review E 72(031911), 2005.
      e-print: q-bio.PE/0502027
    • H. J. Seybold and R. Hilfer.
      "Numerical Results for the Generalized Mittag-Leffler Function".
      Fractional Calculus and Applied Analysis 8(2)(127), 2005.
      [PDF] (932 KB)
    • Sandeep Tyagi.
      "New series representation for the Madelung constant".
      Progress of Theoretical Physics 114(517–521), 2005.
      [PDF] (100 KB)
    • Sandeep Tyagi.
      "Rapid evaluation of the periodic Green function in d dimensions".
      Journal of Physics A 38(6987–6998), 2005.
      [PDF] (152 KB)
    • M. Wackenhut and H. J. Herrmann.
      "The reversible polydisperse parking lot model".
      Physical Review E 68(041303), 2005.
      cond-mat/0303031
    • M. Wackenhut and S. McNamara and H. J. Herrmann.
      "A hierarchical model for simulating very polydisperse granular media".
      Proceedings of Powders and Grains 2005 , pages 1311–1315, Editors: R. Garcia-Rojo and H. J. Herrmann and S. McNamara, , 2005.
      Balkema, Leiden.
      [PDF] (219 KB)
    • M. Wackenhut and S. McNamara and H. J. Herrmann.
      "Shearing behaviour of polydisperse media".
      European Physical Journal E 17(237–246), 2005.
      e-print: cond-mat/0407755
    • F. K. Wittel and F. Kun and H. J. Herrmann and B. H. Kröplin.
      "Break-up of shells under explosion and impact".
      Physical Review E 71(016108), 2005.
      [PDF] (1005 KB)


Books

    • "Electrostatic Effects in Soft Matter and Biophysics".
      NATO Science Series II - Mathematics, Physics and Chemistry, Kluwer Academic Publishers, Christian Holm and Patrick Kékicheff and Rudolf Podgornik, Dordrecht, Nl, 2001.
      isbn(hardbound): 1-4020-0196-7, isbn(paperback): 1-4020-0197-5
      [DOI]
Advanced Computer Simulation Approaches for Soft Matter Sciences I
    • "Advanced Computer Simulation Approaches for Soft Matter Sciences I".
      Advances in Polymer Science, Springer, Christian Holm and Kurt Kremer, Berlin, 2005.
      [DOI] [URL]
Advanced Computer Simulation Approaches for Soft Matter Sciences II
    • "Advanced Computer Simulation Approaches for Soft Matter Sciences II".
      Advances in Polymer Science, Springer, Christian Holm and Kurt Kremer, Berlin, 2005.
      [DOI] [URL]
Advanced Computer Simulation Approaches for Soft Matter Sciences III
    • "Advanced Computer Simulation Approaches for Soft Matter Sciences III".
      Advances in Polymer Science, Springer, Christian Holm and Kurt Kremer, Berlin, 2009.
      [PDF] (9 MB) [DOI] [URL]


Theses

2012

    • Florian Dommert.
      "From the inhomogeneous electron gas to classical force fields: a multi-scale model for Ionic Liquids".
      PhD thesis, University Stuttgart, 2012.


2011

    • Frank Dietermann.
      "Behandlung stark nichtkollinearer Magnetisierungsstrukturen mit der Spin-Cluster Entwicklung".
      PhD thesis, Uni Stuttgart, MPI fuer Intelligente Systeme, 2011.
    • Florian Doster.
      "Die Bedeutung perkolirender und nichtperkolierender Phasen bei Mehrphasenströmungen in porösen Medien auf Laborskala".
      PhD thesis, Universität Stuttgart, 2011.


2010

    • Christian Kunert.
      "Lattice Boltzmann simulations of fluid flow in the vicinity of rough and hydrophobic boundaries".
      PhD thesis, University of Stuttgart, feb, 2010.
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