Difference between revisions of "Publications"

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This page lists the publications of our working group.

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Peer-reviewed articles

2021

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Miru Lee, Christoph Lohrmann, Kai Szuttor, Harold Auradou, Christian Holm.
The influence of motility on bacterial accumulation in a microporous channel.
Soft Matter 17(4):893–902, 2021.
[PDF] (3.4 MB) [DOI]
Patrick Kreissl, Christian Holm, Rudolf Weeber.
Frequency-dependent magnetic susceptibility of magnetic nanoparticles in a polymer solution: a simulation study.
Soft Matter 17(1):174–183, 2021.
[PDF] (3.0 MB) [DOI]
Kai Szuttor, Florian Weik, Jean-Noël Grad, Christian Holm.
Modeling the current modulation of bundled DNA structures in nanopores.
The Journal of Chemical Physics 154(5):054901, 2021.
[PDF] (3.0 MB) [Preprint] [DOI]
Martin Bauer, Sebastian Eibl, Christian Godenschwager, Nils Kohl, Michael Kuron, Christoph Rettinger, Florian Schornbaum, Christoph Schwarzmeier, Dominik Thönnes, Harald Köstler, Ulrich Rüde.
waLBerla: A block-structured high-performance framework for multiphysics simulations.
Computers & Mathematics with Applications 81:478–501, 2021.
[PDF] (2.9 MB) [Preprint] [DOI]
Michael Kuron, Cameron Stewart, Joost de Graaf, Christian Holm.
An extensible lattice Boltzmann method for viscoelastic flows: complex and moving boundaries in Oldroyd-B fluids.
European Physical Journal E 44(1):1–14, 2021.
[PDF] (1.3 MB) [Preprint] [DOI]
Petia Atanasova, Maofeng Dou, Shravan R Kousik, Joachim Bill, Maria Fyta.
Adsorption of azide-functionalized thiol linkers on zinc oxide surfaces.
RSC Advances 11(10):5466–5478, 2021.
[PDF] (1.6 MB) [DOI]
Ángel Díaz Carral, Magnus Ostertag, Maria Fyta.
Deep learning for nanopore ionic current blockades.
The Journal of Chemical Physics 154(4):044111, 2021.
[PDF] (2.5 MB) [DOI]

2020

Jonas Landsgesell, David Sean, Patrick Kreissl, Kai Szuttor, Christian Holm.
Erratum: Modeling Gel Swelling Equilibrium in the Mean Field: From Explicit to Poisson-Boltzmann Models [Phys. Rev. Lett. 122, 208002 (2019)].
Physical Review Letters 124(11):119901, 2020.
[PDF] (255 KB) [DOI]
Johannes Zeman, Svyatoslav Kondrat, Christian Holm.
Bulk ionic screening lengths from extremely large-scale molecular dynamics simulations.
Chemical Communications 56(100):15635–15638, 2020.
[PDF] (2.1 MB) [Preprint] [DOI]
Konrad Breitsprecher, Mathijs Janssen, Pattarachai Srimuk, B. Layla Mehdi, Volker Presser, Christian Holm, Svyatoslav Kondrat.
How to speed up ion transport in nanopores.
Nature Communications 11(1):6085, 2020.
[PDF] (1.9 MB) [DOI]
Jonas Landsgesell, Pascal Hebbeker, Oleg Rud, Raju Lunkad, Peter Košovan, Christian Holm.
Grand-Reaction Method for Simulations of Ionization Equilibria Coupled to Ion Partitioning.
Macromolecules 53(8):3007–3020, 2020.
[PDF] (1.7 MB) [Preprint] [DOI]
Samuel Tovey, Anand Narayanan Krishnamoorthy, Ganesh Sivaraman, Jicheng Guo, Chris Benmore, Andreas Heuer, Christian Holm.
DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning.
The Journal of Physical Chemistry C 124(47):25760-25768, 2020.
[PDF] (1.4 MB) [DOI]
Ganesh Sivaraman, Anand Narayanan Krishnamoorthy, Matthias Baur, Christian Holm, Marius Stan, Gábor Csányi, Chris Benmore, Álvaro Vázquez-Mayagoitia.
Machine-learned interatomic potentials by active learning: amorphous and liquid hafnium dioxide.
npj Computational Materials 6(1):104, 2020.
[PDF] (1.4 MB) [DOI]
Pedro A. Sánchez, Martin Vögele, Jens Smiatek, Baofu Qiao, Marcello Sega, Christian Holm.
PDADMAC/PSS Oligoelectrolyte Multilayers: Internal Structure and Hydration Properties at Early Growth Stages from Atomistic Simulations.
Molecules 25(8), 2020.
[PDF] (3.8 MB) [DOI]
Johannes Zeman, Christian Holm, Jens Smiatek.
The Effect of Small Organic Cosolutes on Water Structure and Dynamics.
Journal of Chemical & Engineering Data 65(3):1197–1210, 2020.
[PDF] (1.8 MB) [DOI]
Maofeng Dou, Maria Fyta.
Lithium adsorption on 2D transition metal dichalcogenides: towards a descriptor for machine learned materials design.
Journal of Materials Chemistry A 8(44):23511–23518, 2020.
[PDF] (1.1 MB) [DOI]
Fábio AL de Souza, Ganesh Sivaraman, Maria Fyta, Ralph H Scheicher, Wanderlã L Scopel, Rodrigo G Amorim.
Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore.
Nanoscale 12(35):18289–18295, 2020.
[PDF] (2.6 MB) [DOI]
Chandra Shekar Sarap, Miftahussurur Hamidi Putra, Maria Fyta.
Domain-size effect on the electronic properties of two-dimensional MoS 2/WS 2.
Physical Review B 101(7):075129, 2020.
[PDF] (3.3 MB) [DOI]
Frank C Maier, Maria Fyta.
Functionalized Nanogap for DNA Read-Out: Nucleotide Rotation and Current-Voltage Curves.
ChemPhysChem 21(18):2068, 2020.
[PDF] (1.2 MB) [DOI]

2019

Milena Smiljanic, Rudolf Weeber, Dirk Pflüger, Christian Holm, Andreas Kronenburg.
Developing coarse-grained models for agglomerate growth.
European Physical Journal Special Topics 227(14):1515–1527, 2019.
[PDF] (894 KB) [DOI]
Tamal Roy, Kai Szuttor, Jens Smiatek, Christian Holm, Steffen Hardt.
Conformation and Dynamics of Long-Chain End-Tethered Polymers in Microchannels.
Polymers 11(3):488, 2019.
[PDF] (2.3 MB) [DOI]
Lukas Arens, Dennis Barther, Jonas Landsgesell, Christian Holm , Manfred Wilhelm.
Poly(sodium acrylate) hydrogels: synthesis of various network architectures, local molecular dynamics, salt partitioning, desalination and simulation.
Soft Matter 15(48):9949–9964, 2019.
[PDF] (5.1 MB) [DOI]
Jonas Landsgesell, Christian Holm.
Cell Model Approaches for Predicting the Swelling and Mechanical Properties of Polyelectrolyte Gels.
Macromolecules 52(23):9341–9353, 2019.
[PDF] (3.0 MB) [Preprint] [DOI]
Pedro A. Sánchez, Martin Vögele, Jens Smiatek, Baofu Qiao, Marcello Sega, Christian Holm.
Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri- and tetra-layer systems.
Soft Matter 15(46):9437–9451, 2019.
[PDF] (6.7 MB) [DOI]
Jonas Landsgesell, David Sean, Patrick Kreissl, Kai Szuttor, Christian Holm.
Modeling Gel Swelling Equilibrium in the Mean Field: From Explicit to Poisson-Boltzmann Models.
Physical Review Letters 122(20):208002, 2019.
[PDF] (500 KB) [DOI]
Miru Lee, Kai Szuttor, Christian Holm.
A computational model for bacterial run-and-tumble motion.
The Journal of Chemical Physics 150(17):174111, 2019.
[PDF] (1.7 MB) [DOI]
Rudolf Weeber, Franziska Nestler, Florian Weik, Michael Pippig, Daniel Potts, Christian Holm.
Accelerating the calculation of dipolar interactions in particle based simulations with open boundary conditions by means of the P²NFFT method.
Journal of Computational Physics 391:243–258, 2019.
[PDF] (12 MB) [Preprint] [DOI]
Florian Weik, Kai Szuttor, Jonas Landsgesell, Christian Holm.
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]
Christian Holm, Thomas Ertl, Siegfried Schmauder, Johannes Kästner, Joachim Gross.
Particle methods in natural science and engineering.
European Physical Journal Special Topics 227(14):1493–1499, 2019.
[PDF] (124 KB) [DOI]
Florian Weik, Rudolf Weeber, Kai Szuttor, Konrad Breitsprecher, Joost de Graaf, Michael Kuron, Jonas Landsgesell, Henri Menke, David Sean, Christian Holm.
ESPResSo 4.0 – an extensible software package for simulating soft matter systems.
European Physical Journal Special Topics 227(14):1789–1816, 2019.
[PDF] (1.0 MB) [DOI]
Jonas Landsgesell, Lucie Nová, Oleg Rud, Filip Uhlík, David Sean, Pascal Hebbeker, Christian Holm, Peter Košovan.
Simulations of ionization equilibria in weak polyelectrolyte solutions and gels.
Soft Matter 15(6):1155–1185, 2019.
[PDF] (6.5 MB) [DOI]
David Sean, Jonas Landsgesell, Christian Holm.
Influence of weak groups on polyelectrolyte mobilities.
Electrophoresis 40(5):799–809, 2019.
[PDF] (994 KB) [DOI]
Rudolf Weeber, Patrick Kreissl, Christian Holm.
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] (2.3 MB) [DOI]
Michael Kuron, Philipp Stärk, Christian Burkard, Joost de Graaf, Christian Holm.
A lattice Boltzmann model for squirmers.
The Journal of Chemical Physics 150(14):144110, 2019.
[PDF] (1.1 MB) [Preprint] [DOI]
Michael Kuron, Philipp Stärk, Christian Holm, Joost de Graaf.
Hydrodynamic mobility reversal of squirmers near flat and curved surfaces.
Soft Matter 15(29):5908–5920, 2019.
[PDF] (4.2 MB) [Preprint] [DOI]
Moritz Schleicher, Maria Fyta.
Lateral MoS2 Heterostructure for Sensing Small Gas Molecules.
ACS Applied Electronic Materials 2(1):74–83, 2019.
[PDF] (4.1 MB) [DOI]
Miftahussurur Hamidi Putra, Maria Fyta.
Probing DNA nucleobases with diamond (111) surfaces.
Journal of Physics Communications 3(9):095007, 2019.
[PDF] (1.3 MB) [DOI]
Pouya Partovi-Azar, Chandra Shekar Sarap, Maria Fyta.
In silico Complexes of Amino Acids and Diamondoids.
ChemPhysChem 20(17):2166–2170, 2019.
[PDF] (1.0 MB) [DOI]
Maofeng Dou, Frank C Maier, Maria Fyta.
The influence of a solvent on the electronic transport across diamondoid-functionalized biosensing electrodes.
Nanoscale 11(30):14216–14225, 2019.
[PDF] (3.6 MB) [DOI]
Angel Diaz Carral, Chandra Shekar Sarap, Ke Liu, Aleksandra Radenovic, Maria Fyta.
2D MoS2 nanopores: ionic current blockade height for clustering DNA events.
2D Materials 6(4):045011, 2019.
[PDF] (2.3 MB) [DOI]
Chandra Shekar Sarap, Pouya Partovi-Azar, Maria Fyta.
Enhancing the optical detection of mutants from healthy DNA with diamondoids.
Journal of Materials Chemistry B 7(21):3424–3430, 2019.
[PDF] (3.1 MB) [DOI]
Jens Hertkorn, Maria Fyta.
Electronic features of vacancy, nitrogen, and phosphorus defects in nanodiamonds.
Electronic Structure 1(2):025002, 2019.
[PDF] (2.2 MB) [DOI]
Fabio AL de Souza, Ganesh Sivaraman, Jens Hertkorn, Rodrigo G Amorim, Maria Fyta, Wanderlã L Scopel.
Hybrid 2D nanodevices (graphene/h-BN): selecting NO x gas through the device interface.
Journal of Materials Chemistry A 7(15):8905–8911, 2019.
[PDF] (1.1 MB) [DOI]
Frank C. Maier, Stephen Hocker, Siegfried Schmauder, Maria Fyta.
Interplay of structural, electronic, and transport features in copper alloys.
Journal of Alloys and Compounds 777:619–626, 2019.
[PDF] (1.6 MB) [DOI]

2018

Johannes Hartmann, Tamal Roy, Kai Szuttor, Jens Smiatek, Christian Holm, Steffen Hardt.
Relaxation of surface-tethered polymers under moderate confinement.
Soft Matter 14(38):7926–7933, 2018.
[PDF] (2.5 MB) [DOI]
Konrad Breitsprecher, Christian Holm, Svyatoslav Kondrat.
Charge Me Slowly, I Am in a Hurry: Optimizing Charge–Discharge Cycles in Nanoporous Supercapacitors.
ACS Nano 12(10):9733–9741, 2018.
[PDF] (3.9 MB) [DOI]
Michael Kuron, Patrick Kreissl, Christian Holm.
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] (3.6 MB) [DOI]
Anand Narayanan Krishnamoorthy, Kristina Oldiges, Martin Winter, Andreas Heuer, Isidora Cekic-Laskovic, Christian Holm, Jens Smiatek.
Electrolyte solvents for high voltage lithium ion batteries: ion correlation and specific anion effects in adiponitrile.
Physical Chemistry Chemical Physics 20(40):25701–25715, 2018.
[PDF] (2.5 MB) [DOI]
Julian Michalowsky, Johannes Zeman, Christian Holm, Jens Smiatek.
A polarizable MARTINI model for monovalent ions in aqueous solution.
The Journal of Chemical Physics 149(16):163319, 2018.
[PDF] (1.9 MB) [DOI]
Anand Narayanan Krishnamoorthy, Christian Holm, Jens Smiatek.
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]
Anand Narayanan Krishnamoorthy, Christian Holm, Jens Smiatek.
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] (4.3 MB) [DOI]
Jens Smiatek, Christian Holm.
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. ISBN: 978-3-319-42913-7.
[PDF] (368 KB) [DOI]
Frank Uhlig, Johannes Zeman, Jens Smiatek, Christian Holm.
First-Principles Parametrization of Polarizable Coarse-Grained Force Fields for Ionic Liquids.
Journal of Chemical Theory and Computation 14(3):1471–1486, 2018.
[PDF] (1.2 MB) [DOI]
Alexander Weyman, Markus Bier, Christian Holm, 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] (3.5 MB) [DOI]
Rudolf Weeber, Melissa Hermes, Annette M. Schmidt, Christian Holm.
Polymer architecture of magnetic gels: a review.
Journal of Physics: Condensed Matter 30(6):063002, 2018.
[PDF] (3.3 MB) [DOI]
Di Liu, Maria Fyta.
Hybrids made of defective nanodiamonds interacting with DNA nucleobases.
Nanotechnology 30(6):065601, 2018.
[PDF] (1.4 MB) [DOI]
Himadri R Soni, Maria Fyta.
Two-Dimensional Metallic/Semiconducting MoS2 under Biaxial Strain.
ACS Applied Nano Materials 1(10):5562–5570, 2018.
[PDF] (2.9 MB) [DOI]
Chandra Shekar Sarap, Pouya Partovi-Azar, Maria Fyta.
Optoelectronic properties of diamondoid-DNA complexes.
ACS Applied Bio Materials 1(1):59–69, 2018.
[PDF] (4.5 MB) [DOI]
Sergio Cruz-León, Alvaro Vázquez-Mayagoitia, Simone Melchionna, Nadine Schwierz, Maria Fyta.
Coarse-grained double-stranded RNA model from quantum-mechanical calculations.
The Journal of Physical Chemistry B 122(32):7915–7928, 2018.
[PDF] (3.5 MB) [DOI]
Chandra Shekar Sarap, Bibek Adhikari, Sheng Meng, Frank Uhlig, Maria Fyta.
Optical properties of single-and double-functionalized small diamondoids.
The Journal of Physical Chemistry A 122(14):3583–3593, 2018.
[PDF] (3.0 MB) [DOI]

2017

David Sean, Jonas Landsgesell, Christian Holm.
Computer Simulations of Static and Dynamical Properties of Weak Polyelectrolyte Nanogels in Salty Solutions.
Gels 4(1):2, 2018.
[PDF] (976 KB) [DOI]
Ganesh Sivaraman, Rodrigo G. Amorim, Ralph H. Scheicher, Maria Fyta.
Insights into the detection of mutations and epigenetic markers using diamondoidfunctionalized sensors.
RSC Advances 7(68):43064–43072, 2017.
[PDF] (1.4 MB) [DOI]
Adwait V. Datar, Maria Fyta, Umberto Marini Bettolo Marconi, Simone Melchionna.
Electrokinetic Lattice Boltzmann Solver Coupled to Molecular Dynamics: Application to Polymer Translocation.
Langmuir 33(42):11635–11645, 2017.
[PDF] (2.5 MB) [DOI]
Frank Uhlig, Jens Smiatek, Christian Holm.
Many-body effects in simulations of ionic liquids.
In Proceedings of the 3rd bwHPC-Symposium, Heidelberg 2016, pages 121–123.
heiBOOKS, 2017. ISBN: 978-3-946531-70-8.
[PDF] (1.7 MB) [DOI]
Tamal Roy, Kai Szuttor, Jens Smiatek, Christian Holm, Steffen Hardt.
Electric-field-induced stretching of surface-tethered polyelectrolytes in a microchannel.
Physical Review E 96(3):032503, 2017.
[PDF] (794 KB) [DOI]
Johannes Niskanen, Christoph J. Sahle, Keith Gilmore, Frank Uhlig, Jens Smiatek, Alexander Föhlisch.
Disentangling structural information from core-level excitation spectra.
Physical Review E 96(1):013319, 2017.
[PDF] (1.7 MB) [DOI] [URL]
Tamal Roy, Kai Szuttor, Jens Smiatek, Christian Holm, Steffen Hardt.
Stretching of surface-tethered polymers in pressure-driven flow under confinement.
Soft Matter 13(36):6189–6196, 2017.
[PDF] (2.8 MB) [DOI]
Takeshi Kobayashi, Joshua Reid, Seishi Shimizu, Maria Fyta, Jens Smiatek.
The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood-Buff approaches.
Physical Chemistry Chemical Physics 19(29):18924–18937, 2017.
[PDF] (4.2 MB) [DOI]
Kai Szuttor, Tamal Roy, Steffen Hardt, Christian Holm, 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]
Diddo Diddens, Volker Lesch, Andreas Heuer, Jens Smiatek.
Aqueous Ionic Liquids and Their Influence on Peptide Conformations: Denaturation and Dehydration Mechanisms.
Physical Chemistry Chemical Physics 19(31):20430–20440, 2017.
[PDF] (3.2 MB) [DOI]
Tobias Richter, Jonas Landsgesell, Peter Košovan, Christian Holm.
On the efficiency of a hydrogel-based desalination cycle.
Desalination 414:28–34, 2017.
[PDF] (1.1 MB) [DOI]
Gernot Bauer, Nadezhda Gribova, Alexander Lange, Christian Holm, Joachim Gross.
Three-body effects in triplets of capped gold nanocrystals.
Molecular Physics 115(9-12):1031–1040, 2017.
[PDF] (1.2 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] (1.9 MB) [DOI]
Jonas Landsgesell, Christian Holm, Jens Smiatek.
Simulation of weak polyelectrolytes: A comparison between the constant pH and the reaction ensemble method.
European Physical Journal Special Topics 226(4):725–736, 2017.
[PDF] (287 KB) [DOI]
Jonas Landsgesell, Christian Holm, Jens Smiatek.
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] (2.0 MB) [DOI]
Salomon Chung, Sela Samin, Christian Holm, Jean-Guillaume Malherbe, Saïd Amokrane.
Dynamics of field-driven population inversion in a confined colloidal mixture.
Physical Review E 95(2):022605, 2017.
[PDF] (2.3 MB) [DOI]
Tobias Rau, Florian Weik, Christian Holm.
A dsDNA model optimized for electrokinetic applications.
Soft Matter 13(21):3918–3926, 2017.
[PDF] (3.3 MB) [DOI]
Oleg Rud, Tobias Richter, Oleg Borisov, Christian Holm, Peter Košovan.
A self-consistent mean-field model for polyelectrolyte gels.
Soft Matter 13(18):3264–3274, 2017.
[PDF] (3.6 MB) [DOI]
Julian Michalowsky, Lars V. Schäfer, Christian Holm, 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]
Ran Niu, Patrick Kreissl, Aidan Thomas Brown, Georg Rempfer, Denis Botin, Christian Holm, Thomas Palberg, Joost de Graaf.
Microfluidic pumping by micromolar salt concentrations.
Soft Matter 13(7):1505–1518, 2017.
[PDF] (4.5 MB) [DOI]
Aidan T. Brown, Wilson C. K. Poon, Christian Holm, Joost de Graaf.
Ionic screening and dissociation are crucial for understanding chemical self-propulsion in polar solvents.
Soft Matter 13(6):1200–1222, 2017.
[PDF] (4.1 MB) [DOI]
Jens Smiatek, Niels Hansen, Johannes Kästner.
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. ISBN: 978-1-78262-429-5.
[DOI] [URL]
G. Inci, A. Kronenburg, R. Weeber, D. Pflüger.
Langevin Dynamics Simulation of Transport and Aggregation of Soot Nano-particles in Turbulent Flows.
Flow, Turbulence and Combustion 98(4):1065–1085, 2017.
[PDF] (800 KB) [DOI]
Georg Rempfer, Sascha Ehrhardt, Christian Holm, Joost de Graaf.
Nanoparticle Translocation through Conical Nanopores: A Finite Element Study of Electrokinetic Transport.
Macromolecular Theory and Simulations 26(1):1600051, 2017.
[PDF] (1.2 MB) [DOI]
MA Belyanchikov, ES Zhukova, S Tretiak, A Zhugayevych, M Dressel, F Uhlig, J Smiatek, M Fyta, VG Thomas, BP Gorshunov.
Vibrational states of nano-confined water molecules in beryl investigated by first-principles calculations and optical experiments.
Physical Chemistry Chemical Physics 19(45):30740–30748, 2017.
[PDF] (4.4 MB) [DOI]
Adwait V. Datar, Maria Fyta, Umberto Marini Bettolo Marconi, Simone Melchionna.
Electrokinetic Lattice Boltzmann Solver Coupled to Molecular Dynamics: Application to Polymer Translocation.
Langmuir 33(42):11635–11645, 2017.
[PDF] (2.5 MB) [DOI]
Ganesh Sivaraman, Rodrigo G. Amorim, Ralph H. Scheicher, Maria Fyta.
Insights into the detection of mutations and epigenetic markers using diamondoidfunctionalized sensors.
RSC Advances 7(68):43064–43072, 2017.
[PDF] (1.4 MB) [DOI]

2016

Bibek Adhikari, Sheng Meng, Maria Fyta.
Carbene-mediated self-assembly of diamondoids on metal surfaces.
Nanoscale 8:8966–8975, 2016.
[PDF] (2.5 MB) [DOI]
Ganesh Sivaraman, Rodrigo G. Amorim, Ralph H. Scheicher, Maria Fyta.
Diamondoid-functionalized gold nanogaps as sensors for natural, mutated, and epigenetically modified DNA nucleotides.
Nanoscale 8:10105–10112, 2016.
[PDF] (2.9 MB) [DOI]
Andreas Natterer, Bibek Adhikari, Maria Fyta.
Complexes of carbene-functionalized diamondoids and metal atoms: Electronic properties.
Journal of Organometallic Chemistry 815-816:8–15, 2016.
[PDF] (1.5 MB) [DOI]
Sergio Cruz León, Mara Prentiss, Maria Fyta.
Binding energies of nucleobase complexes: Relevance to homology recognition of DNA.
Physical Review E 93(6):062410, 2016.
[PDF] (968 KB) [DOI]
Ganesh Sivaraman, Rodrigo G Amorim, Ralph H Scheicher, Maria Fyta.
Benchmark investigation of diamondoidfunctionalized electrodes for nanopore DNA sequencing.
Nanotechnology 27(41):414002, 2016.
[PDF] (1.4 MB) [DOI]
Ganesh Sivaraman, Fabio A. L. de Souza, Rodrigo G. Amorim, Wanderla L. Scopela, Maria Fyta, Ralph H. Scheicher.
Electronic Transport along Hybrid MoS2 Monolayers.
Journal of Physical Chemistry 120(41):23389–23396, 2016.
[PDF] (5.3 MB) [DOI]
Bibek Adhikari, Ganesh Sivaraman, Maria Fyta.
Diamondoid-based molecular junctions: a computational study.
Nanotechnology 27(48):485207, 2016.
[PDF] (2.4 MB) [DOI]
Maria Fyta.
Computational Approaches in Physics.
Morgan & Claypool Publishers, 2016. ISBN: 978-1-6817-4417-9.
[PDF] (3.7 MB) [DOI] [URL]
Martin A. Schroer, Julian Michalowsky, Birgit Fischer, Jens Smiatek, Gerhard Grübel.
Stabilizing Effect of TMAO on Globular PNIPAM States: Preferential Attraction Induces Preferential Hydration.
Physical Chemistry Chemical Physics 18(46):31459–31470, 2016.
[PDF] (2.6 MB) [DOI]
Florian Weik, Stefan Kesselheim, Christian Holm.
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] (2.2 MB) [DOI]
Anand Narayanan Krishnamoorthy, Johannes Zeman, Christian Holm, Jens Smiatek.
Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions.
Physical Chemistry Chemical Physics 18(45):31312–31322, 2016.
[PDF] (3.6 MB) [DOI]
Ryan Burt, Konrad Breitsprecher, Barbara Daffos, Pierre-Louis Taberna, Patrice Simon, Greg Birkett, Xiu Song Zhao, Christian Holm, 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]
Sven Erik Ilse, Christian Holm, Joost de Graaf.
Surface roughness stabilizes the clustering of self-propelled triangles.
The Journal of Chemical Physics 145(13):134904, 2016.
[PDF] (14 MB) [DOI]
José Rafael Bordin, Rudolf Podgornik, Christian Holm.
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]
Konrad Breitsprecher, Anand Narayanan Krishnamoorthy, Jens Smiatek, Christian Holm.
Force Field Optimization for Ionic Liquids: FFOIL.
In High Performance Computing in Science and Engineering '15, pages 101–117.
Springer, 2016.
[PDF] (1.2 MB) [DOI]
Volker Lesch, Andreas Heuer, Babak R. Rad, Martin Winter, Jens Smiatek.
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(41):28403–28408, 2016.
[PDF] (2.3 MB) [DOI] [URL]
Marc Benjamin Hahn, Frank Uhlig, Tihomir Solomun, Jens Smiatek, Heinz Sturm.
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] (2.2 MB) [DOI]
Joost de Graaf, Henri Menke, Arnold J. T. M. Mathijssen, Marc Fabritius, Christian Holm, Tyler N. Shendruk.
Lattice-Boltzmann hydrodynamics of anisotropic active matter.
The Journal of Chemical Physics 144(13):134106, 2016.
[PDF] (1.9 MB) [DOI]
Samantha Micciulla, Julian Michalowsky, Martin A. Schroer, Christian Holm, Regine von Klitzing, Jens Smiatek.
Concentration dependent effects of urea binding to poly(N-isopropylacrylamide) brushes: a combined experimental and numerical study.
Physical Chemistry Chemical Physics 18(7):5324–5335, 2016.
[PDF] (2.4 MB) [DOI]
Volker Lesch, Andreas Heuer, Christian Holm, Jens Smiatek.
Properties of Apolar Solutes in Alkyl Imidazolium-Based Ionic Liquids: The Importance of Local Interactions.
ChemPhysChem 17(3):387–394, 2016.
[PDF] (1.2 MB) [DOI]
Pedro A. Sánchez, Jens Smiatek, Qiao Baofu, Marcello Sega, Christian Holm.
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. Edited by E. Wolfgang Nagel, H. Dietmar Kröner, M. Michael Resch.
Springer International Publishing, 2016. ISBN: 978-3-319-24633-8.
[PDF] (292 KB) [DOI]
Patrick Kreissl, Christian Holm, Joost de Graaf.
The efficiency of self-phoretic propulsion mechanisms with surface reaction heterogeneity.
The Journal of Chemical Physics 144(20):204902, 2016.
[PDF] (1.6 MB) [DOI]
Joost de Graaf, Arnold J. T. M. Mathijssen, Marc Fabritius, Henri Menke, Christian Holm, Tyler N. Shendruk.
Understanding the onset of oscillatory swimming in microchannels.
Soft Matter 12(21):4704–4708, 2016.
[PDF] (2.3 MB) [DOI]
Shilin Huang, Giorgio Pessot, Peet Cremer, Rudolf Weeber, Christian Holm, Johannes Nowak, Stefan Odenbach, Andreas M. Menzel, Günter K. Auernhammer.
Buckling of paramagnetic chains in soft gels.
Soft Matter 12(1):228–237, 2016.
[PDF] (2.8 MB) [DOI]
Georg Rempfer, Gary B. Davies, Christian Holm, Joost de Graaf.
Reducing spurious flow in simulations of electrokinetic phenomena.
The Journal of Chemical Physics 145(4):044901, 2016.
[PDF] (3.1 MB) [DOI]
Georg Rempfer, Sascha Ehrhardt, Nadanai Laohakunakorn, Gary B. Davies, Ulrich F. Keyser, Christian Holm, Joost de Graaf.
Selective Trapping of DNA Using Glass Microcapillaries.
Langmuir 32(33):8525–8532, 2016.
[PDF] (4.1 MB) [DOI]
Michael Kuron, Georg Rempfer, Florian Schornbaum, Martin Bauer, Christian Godenschwager, Christian Holm, 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, Maria Fyta.
Towards double-functionalized small diamondoids: selective electronic band-gap tuning.
Nanotechnology 26(3):035701, 2015.
[PDF] (1.4 MB) [DOI]
Martin Vögele, Christian Holm, Jens Smiatek.
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, Tihomir Solomun, Robert Wellhausen, Sabrina Hermann, Harald Seitz, Susann Meyer, Hans-Jörg Kunte, Johannes Zeman, Frank Uhlig, Jens Smiatek, 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]
Florian Fahrenberger, Owen A. Hickey, Jens Smiatek, Christian Holm.
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] (1.9 MB) [DOI]
Peter Košovan, Tobias Richter, Christian Holm.
Modeling of Polyelectrolyte Gels in Equilibrium with Salt Solutions.
Macromolecules 48(20):7698–7708, 2015.
[PDF] (2.5 MB) [DOI]
Volker Lesch, Andreas Heuer, Vasileios A. Tatsis, Christian Holm, Jens Smiatek.
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] (1.8 MB) [DOI]
Giorgio Pessot, Rudolf Weeber, Christian Holm, Hartmut Löwen, Andreas M. Menzel.
Towards a scale-bridging description of ferrogels and magnetic elastomers.
Journal of Physics: Condensed Matter 27(32):325105, 2015.
[PDF] (1.9 MB) [DOI]
Rudolf Weeber, Sofia Kantorovich, Christian Holm.
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] (3.4 MB) [DOI]
Florian Fahrenberger, Owen A. Hickey, Jens Smiatek, Christian Holm.
Importance of varying permittivity on the conductivity of polyelectrolyte solutions.
Physical Review Letters 115(11):118301, 2015.
[PDF] (523 KB) [DOI]
Martin Vögele, Christian Holm, Jens Smiatek.
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, Axel Arnold.
Two-stage crystallization of charged colloids under low supersaturation conditions.
Soft Matter 11:2174–2182, 2015.
[PDF] (1.1 MB) [DOI]
Michael Kuron, Axel Arnold.
Role of geometrical shape in like-charge attraction of DNA.
European Physical Journal E 38:20, 2015.
[PDF] (1.1 MB) [DOI]
Volker Lesch, Andreas Heuer, Christian Holm, Jens Smiatek.
Solvent effects of 1-ethyl-3-methylimidazolium acetate: solvation and dynamic behavior of polar and apolar solutes.
Physical Chemistry Chemical Physics 17(13):8480–8490, 2015.
[PDF] (2.7 MB) [DOI]
Elena Minina, Axel Arnold.
Entropic segregation of ring polymers in cylindrical confinement.
Macromolecules 48(14):4998–5005, 2015.
[PDF] (1.8 MB) [DOI]
Shervin Raafatnia, Owen A. Hickey, Christian Holm.
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] (2.0 MB) [DOI]
Aaron Taudt, Axel Arnold, Jürgen Pleiss.
Simulation of protein association: Kinetic pathways towards crystal contacts.
Physical Review E 91(3):033311, 2015.
[PDF] (1.7 MB) [DOI]
Andreas Wohlfarth, Jens Smiatek, Klaus-Dieter Kreuer, Shogo Takamuku, Patric Jannasch, Joachim Maier.
Proton Dissociation of Sulfonated Polysulfones: Influence of Molecular Structure and Conformation.
Macromolecules 48(4):1134–1143, 2015.
[PDF] (1.5 MB) [DOI]
Gernot Bauer, Alexander Lange, Nadezhda Gribova, Christian Holm, Joachim Gross.
Effective potentials between gold nano crystals - functional dependence on temperature.
Molecular Simulation 41(14):1153–1158, 2015.
[PDF] (199 KB) [DOI]
Rudolf Weeber, Sofia Kantorovich, Christian Holm.
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] (2.5 MB) [DOI]
Lukas P. Fischer, Toni Peter, Christian Holm, Joost de Graaf.
The raspberry model for hydrodynamic interactions revisited. I. Periodic arrays of spheres and dumbbells.
The Journal of Chemical Physics 143(8):084107, 2015.
[PDF] (2.7 MB) [DOI]

2014

Bibek Adhikari, Balaji Muthuraman, Christos Mathioudakis, Maria Fyta.
Promoting the assembly of carbon onions: An atomistic approach.
Physica Status Solidi A 211(2):277–287, 2014.
[PDF] (1.5 MB) [DOI]
Ganesh Sivaraman, Maria Fyta.
Chemically modified diamondoids as biosensors for DNA.
Nanoscale 6:4225–4232, 2014.
[PDF] (2.6 MB) [DOI]
Frank C. Maier, Dr. Maria Fyta.
Type-Dependent Identification of DNA Nucleobases by Using Diamondoids.
ChemPhysChem 15:3466–3475, 2014.
[PDF] (2.7 MB) [DOI]
Maria Fyta.
Stable boron nitride diamondoids as nanoscale materials.
Nanotechnology 25(36):365601, 2014.
[PDF] (1.3 MB) [DOI]
Ganesh Sivaraman, Maria Fyta.
Diamondoids as DNA methylation and mutation probes.
Europhysics Letters 108:17005, 2014.
[PDF] (419 KB) [DOI]
Frank C. Maier, Ganesh Sivaraman, Maria Fyta.
The role of a diamondoid as a hydrogen donor or acceptor in probing DNA nucleobases.
European Physical Journal E 37:95.
[PDF] (1.6 MB) [DOI]
Konrad Breitsprecher, Peter Košovan, 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] (1.1 MB) [DOI]
Konrad Breitsprecher, Peter Košovan, 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] (1.3 MB) [DOI]
Matthias U. Bohner, Johannes Zeman, Jens Smiatek, Axel Arnold, 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]
Florian Dommert, Katharina Wendler, Baofu Qiao, Luigi Delle Site, Christian Holm.
Generic force fields for ionic liquids.
Journal of Molecular Liquids 192:32–37, 2014.
[PDF] (711 KB) [DOI]
A Elshwishin, J Köser, W Schröer, Baofu Qiao.
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]
Thomas Ertl, Michael Krone, Stefan Kesselheim, Katrin Scharnowski, Guido Reina, Christian Holm.
Visual Analysis for Space-Time Aggregation of Biomolecular Simulations.
Faraday Discussions 169(0):167–178, 2014.
[PDF] (2.7 MB) [DOI]
Florian Fahrenberger, Christian Holm.
Computing the Coulomb interaction in inhomogeneous dielectric media via a local electrostatics lattice algorithm.
Physical Review E 90(6):063304, 2014.
[PDF] (896 KB) [DOI]
Owen A. Hickey, Christian Holm, Jens Smiatek.
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]
Stefan Kesselheim, Wojciech Müller, Christian Holm.
Origin of Current Blockades in Nanopore Translocation Experiments.
Physical Review Letters 112(1):018101, 2014.
[PDF] (351 KB) [DOI]
Kai Kratzer, Joshua T. Berryman, Aaron Taudt, Johannes Zeman, Axel Arnold.
The Flexible Rare Event Sampling Harness System (FRESHS).
Computer Physics Communications 185(7):1875–1885, 2014.
[PDF] (1.3 MB) [DOI]
Anand Narayanan Krishnamoorthy, Christian Holm, Jens Smiatek.
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] (1.0 MB) [DOI]
Samantha Micciulla, Pedro A. Sánchez, Jens Smiatek, Baofu Qiao, Marcello Sega, André Laschewsky, Christian Holm, Regine von Klitzing.
Layer-by-Layer Formation of Oligoelectrolyte Multilayers: A Combined Experimental and Computational Study.
Soft Materials 12(sup1):S14–S21, 2014.
[PDF] (581 KB) [DOI]
Elena Minina, Axel Arnold.
Induction of entropic segregation: the first step is the hardest.
Soft Matter 10(31):5836–5841, 2014.
[PDF] (2.0 MB) [DOI]
Shervin Raafatnia, Owen A. Hickey, Marcello Sega, Christian Holm.
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] (1.1 MB) [DOI]
Shervin Raafatnia, Owen A. Hickey, Christian Holm.
Mobility Reversal of Polyelectrolyte-Grafted Colloids in Monovalent Salt Solutions.
Physical Review Letters 113(23):238301, 2014.
[PDF] (336 KB) [DOI]
Marcello Sega, Sofia S. Kantorovich, Christian Holm, Axel Arnold.
Communication: Kinetic and pairing contributions in the dielectric spectra of electrolyte solutions.
The Journal of Chemical Physics 140(21):211101, 2014.
[PDF] (1.2 MB) [DOI]
Jens Smiatek, Andreas Wohlfarth, 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]
Jens Smiatek.
Osmolyte Effects: Impact on the Aqueous Solution around Charged and Neutral Spheres.
The Journal of Physical Chemistry B 118(3):771–782, 2014.
[PDF] (1.7 MB) [DOI]
Jens Smiatek, Daniel Janssen-Müller, Rudolf Friedrich, Andreas Heuer.
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]
Jens Smiatek, Andreas Heuer.
Deprotonation mechanism of a single-stranded DNA i-motif.
RSC Advances 4(33):17110–17113, 2014.
[PDF] (380 KB) [DOI]
Apostolos Vagias, Peter Košovan, Kaloian Koynov, Christian Holm, Hans-Jürgen Butt, George Fytas.
Dynamics in Stimuli-Responsive Poly(N-isopropylacrylamide) Hydrogel Layers As Revealed by Fluorescence Correlation Spectroscopy.
Macromolecules 47(15):5303–5312, 2014.
[PDF] (1.5 MB) [DOI]

2013

Axel Arnold, Olaf Lenz, Stefan Kesselheim, Rudolf Weeber, Florian Fahrenberger, Dominic Röhm, Peter Košovan, Christian Holm.
ESPResSo 3.1 – Molecular Dynamics Software for Coarse-Grained Models.
In Meshfree Methods for Partial Differential Equations VI, pages 1–23. Edited by Michael Griebel, Marc Alexander Schweitzer. Part of Lecture Notes in Computational Science and Engineering, volume 89.
Springer Berlin Heidelberg, 2013.
[PDF] (380 KB) [DOI]
Axel Arnold, Florian Fahrenberger, Christian Holm, Olaf Lenz, Matthias Bolten, Holger Dachsel, Rene Halver, Ivo Kabadshow, Franz Gähler, Frederik Heber, Julian Iseringhausen, Michael Hofmann, Michael Pippig, Daniel Potts, Godehard Sutmann.
Comparison of scalable fast methods for long-range interactions.
Physical Review E 88(6):063308, 2013.
[PDF] (2.3 MB) [DOI]
Axel Arnold, Konrad Breitsprecher, Florian Fahrenberger, Stefan Kesselheim, Olaf Lenz, Christian Holm.
Efficient Algorithms for Electrostatic Interactions Including Dielectric Contrasts.
Entropy 15(11):4569–4588, 2013.
[PDF] (2.6 MB) [DOI]
Stephan Gekle, Axel Arnold.
Comment on “Anomalous Dielectric Behavior of Nanoconfined Electrolytic Solutions”.
Physical Review Letters 111(8):089801, 2013.
[PDF] (52 KB) [DOI]
Rajarshi Chakrabarti, Stefan Kesselheim, Peter Košovan, Christian Holm.
Tracer diffusion in a crowded cylindrical channel.
Physical Review E 87(6):062709, 2013.
[PDF] (906 KB) [DOI]
Florian Dommert, Christian Holm.
Refining classical force fields for ionic liquids: theory and application to [MMIm][Cl].
Physical Chemistry Chemical Physics 15(6):2037–2049, 2013.
[PDF] (3.9 MB) [DOI]
Yevgen Dorozhko, Kai Kratzer, Yuriy Yudin, Axel Arnold, Colin W. Glass, Michael Resch.
Rare Event Sampling using the Science Experimental Grid Laboratory.
In Proceedings of the Fourteenth International Conference on Civil, Structural and Environmental Engineering Computing, pages Paper 207. Edited by B.H.V. Topping, P. Iványi.
Civil-Comp Press, Stirlingshire, UK, 2013.
Maria Fyta.
Nitrogen-Vacancy Centers and Dopants in Ultrathin Diamond Films: Electronic Structure.
JOURNAL OF PHYSICAL CHEMISTRY C 117(41):21376–21381, 2013.
[PDF] (4.4 MB) [DOI]
F. Gunther, F. Janoschek, S. Frijters, J. Harting.
Lattice Boltzmann simulations of anisotropic particles at liquid interfaces.
COMPUTERS & FLUIDS 80(SI):184–189, 2013.
[PDF] (1.4 MB) [DOI]
Martin Hecht, Jens Harting.
Erratum: Implementation of on-site velocity boundary conditions for D3Q19 lattice Boltzmann simulations.
Journal of Statistical Mechanics-Theory and Experiment 2013(02):E02001, 2013.
[PDF] (111 KB) [DOI]
Owen A. Hickey, 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]
Johannes Höpfner, Tobias Richter, Peter Košovan, Christian Holm, Manfred Wilhelm.
Seawater Desalination via Hydrogels: Practical Realisation and First Coarse Grained Simulations.
In Intelligent Hydrogels, pages 247–263. Edited by Gabriele Sadowski, Walter Richtering. Part of Progress in Colloid and Polymer Science, volume 140.
Springer International Publishing, 2013. ISBN: 978-3-319-01682-5.
[PDF] (1.0 MB) [DOI]
O. Hönig, F. Doster, R. Hilfer.
Traveling Wave Solutions in a Generalized Theory for Macroscopic Capillarity.
Transport in Porous Media 99(3):467–491, 2013.
[PDF] (1.5 MB) [DOI]
Marco Klinkigt, Rudolf Weeber, Sofia Kantorovich, Christian Holm.
Cluster formation in systems of shifted-dipole particles.
Soft Matter 9(13):3535–3546, 2013.
[PDF] (893 KB) [DOI]
T. Köddermann, D. Reith, 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]
Peter Košovan, Tobias Richter, Christian Holm.
Molecular Simulations of Hydrogels.
In Intelligent Hydrogels, pages 205–221. Edited by Gabriele Sadowski, Walter Richtering. Part of Progress in Colloid and Polymer Science, volume 140.
Springer International Publishing, 2013. ISBN: 978-3-319-01682-5.
[PDF] (650 KB) [DOI]
Kai Kratzer, Axel Arnold, Rosalind J. Allen.
Automatic, optimized interface placement in forward flux sampling simulations.
The Journal of Chemical Physics 138(16):164112, 2013.
[PDF] (798 KB)
T. Krueger, S. Frijters, F. Gunther, B. Kaoui, J. Harting.
Numerical simulations of complex fluid-fluid interface dynamics.
EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS 222(1):177–198, 2013.
[PDF] (1.8 MB) [DOI]
Shavkat Mamatkulov, Maria Fyta, Roland R. Netz.
Force fields for divalent cations based on single-ion and ion-pair properties.
The Journal of Chemical Physics 138(2), 2013.
[PDF] (1.5 MB) [DOI]
E. Minina, S. Kantorovich.
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]
Ekaterina Novak, Elena Minina, Elena Pyanzina, Sofia Kantorovich, Alexey Ivanov.
Structure factor of model bidisperse ferrofluids with relatively weak interparticle interactions.
The Journal of Chemical Physics 139(22), 2013.
[PDF] (1.6 MB) [DOI]
Dominic Roehm, Kai Kratzer, Axel Arnold.
Heterogeneous and Homogeneous Crystallization of Soft Spheres in Suspension.
In High Performance Computing in Science and Engineering '13, pages 33–52. Edited by Wolfgang E. Nagel, Dietmar H. Kröner, Michael M. Resch.
Springer International Publishing, 2013. ISBN: 978-3-319-02165-2.
[DOI]
Sela Samin, Yoav Tsori, Christian Holm.
Vapor-liquid coexistence of the Stockmayer fluid in nonuniform external fields.
Physical Review E 87(5), 2013.
[PDF] (301 KB) [DOI]
Pedro A. Sánchez, Joan J. Cerdà, Tomás Sintes, Christian Holm.
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] (1.0 MB) [DOI]
Marcello Sega, Sofia S. Kantorovich, Axel Arnold, Christian Holm.
On the Calculation of the Dielectric Properties of Liquid Ionic Systems.
In Recent Advances in Broadband Dielectric Spectroscopy, pages 103–122. Edited by Yuri P. Kalmykov. Part of NATO Science for Peace and Security Series B: Physics and Biophysics.
Springer Netherlands, 2013. ISBN: 978-94-007-5011-1.
[PDF] (903 KB) [DOI]
Ilya Semenov, Shervin Raafatnia, Marcello Sega, Vladimir Lobaskin, Christian Holm, Friedrich Kremer.
Electrophoretic mobility and charge inversion of a colloidal particle studied by single-colloid electrophoresis and molecular dynamics simulations.
Physical Review E 87(2):022302, 2013.
[PDF] (1.2 MB) [DOI]
J. Smiatek, R. K. Harishchandra, H.-J. Galla, A. Heuer.
Low Concentrated Hydroxiectoine Solutions in Presence of DPPC Lipid Bilayers: A Computer Simulation Study.
Biophysical Chemistry 180:102–109, 2013.
[PDF] (895 KB) [DOI]
Jens Smiatek, Andreas Heuer, Hendrik Wagner, Armido Studer, Carsten Hentschel, Lifeng Chi.
Coat thickness dependent adsorption of hydrophobic molecules at polymer brushes.
The Journal of Chemical Physics 138(4), 2013.
[PDF] (759 KB) [DOI]
Apostolos Vagias, Riccardo Raccis, Kaloian Koynov, Ulrich Jonas, Hans-Jürgen Butt, George Fytas, Peter Košovan, Olaf Lenz, Christian Holm.
Complex Tracer Diffusion Dynamics in Polymer Solutions.
Physical Review Letters 111(8):088301, 2013.
[PDF] (492 KB) [DOI]
Apostolos Vagias, Peter Košovan, Christian Holm, Hans-Jürgen Butt, Kaloian Koynov, George Fytas.
Tracer Mobility in Aqueous Poly(N-isopropylacrylamide) Grafted Networks: Effect of Interactions and Permanent Crosslinks.
In Intelligent Hydrogels, pages 53–62. Edited by Gabriele Sadowski, Walter Richtering. Part of Progress in Colloid and Polymer Science, volume 140.
Springer International Publishing, 2013. ISBN: 978-3-319-01682-5.
[PDF] (429 KB) [DOI]
Rudolf Weeber, Marco Klinkigt, Sofia Kantorovich, Christian Holm.
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] (1.9 MB) [DOI]

2012

Sven Bachthaler, Filip Sadlo, Rudolf Weeber, Sofia Kantorovich, Christian Holm, Daniel Weiskopf.
Magnetic Flux Topology of 2D Point Dipoles.
Computer Graphics Forum 31(3, Part 1):955–964, 2012.
[PDF] (2.1 MB) [DOI]
Vincent Ballenegger, Joan J. Cerdà, 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]
T. Brandes, A. Arnold, T. Soddemann, D. Reith.
CPU vs. GPU — Performance comparison for the Gram-Schmidt algorithm.
European Journal of Physics Special Topics 210(1):73–88, 2012.
[PDF] (663 KB) [DOI]
Juan J. Cerdà, Christian Holm, Baofu Qiao.
Modeling the Structure and Dynamics of Polyelectrolyte Multilayers.
In Ionic Interactions in Natural and Synthetic Macromolecules, chapter 5, pages 121–166. Edited by Alberto Ciferri, Angelo Perico. Edition 1.
John Wiley & Sons, Inc., 2012. ISBN: 9781118165850.
[PDF] (1.3 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]
Luigi Delle Site, Christian Holm, Nico F. A. van der Vegt.
Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes.
In Multiscale Molecular Methods in Applied Chemistry, pages 251–294. Edited by B. Kirchner, J. Vrabec. Part of Topics in Current Chemistry, volume 307.
Springer-Verlag, 2012. ISBN: 978-3-642-24968-6.
[PDF] (1.1 MB) [DOI]
Florian Dommert, Katharina Wendler, Robert Berger, Luigi Delle Site, 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]
Fabian Dörfler, Markus Rauscher, Joel Koplik, Jens Harting, S. Dietrich.
Micro- and nanoscale fluid flow on chemical channels.
Soft Matter 8(35):9221–9234, 2012.
[PDF] (1.4 MB) [DOI]
F. Doster, 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]
F. Doster, O. Hönig, R. Hilfer.
Horizontal flow and capillarity-driven redistribution in porous media.
Physical Review E 86(1):016317, 2012.
[PDF] (632 KB) [DOI]
Maria Fyta, Roland R. Netz.
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] (1.9 MB) [DOI]
M. Fyta.
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]
Chia Wei Hsu, Maria Fyta, Greg Lakatos, Simone Melchionna, Efthimios Kaxiras.
Ab initio determination of coarse-grained interactions in double-stranded DNA.
The Journal of Chemical Physics 137(10):105102, 2012.
[PDF] (1.3 MB) [DOI]
R. Hilfer, F. Doster, P.A. Zegeling.
Nonmonotone Saturation Profiles for Hydrostatic Equilibrium in Homogeneous Porous Media.
Vadose Zone Journal 11(3), 2012.
[PDF] (834 KB) [DOI]
D. Roehm, A. Arnold.
Lattice Boltzmann simulations on GPUs with ESPResSo.
European Physical Journal Special Topics 210(1):89–100, 2012.
[PDF] (419 KB) [DOI]
Rudolf Weeber, Sofia Kantorovich, Christian Holm.
Deformation mechanisms in 2D magnetic gels studied by computer simulations.
Soft Matter 8(38):9923–9932, 2012.
[PDF] (1.7 MB) [DOI]
Katharina Wendler, Florian Dommert, Yuan Yuan Zhao, Robert Berger, Christian Holm, Luigi Delle Site.
Ionic liquids studied across different scales: A computational perspective.
Faraday Discussions 154:111–132, 2012.
[PDF] (493 KB) [DOI]

2011

Christian Holm, Nadezhda Gribova, Axel Arnold, 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, Christian Holm, James L. Harden, Gary W. Slater.
Influence of Charged Polymer Coatings on Electro-Osmotic Flow: Molecular Dynamics Simulations.
Macromolecules 44:9455–9463, 2011.
[PDF] (1.8 MB) [DOI]
Katharina Wendler, Stefan Zahn, Florian Dommert, Robert Berger, Christian Holm, Barbara Kirchner, 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] (1.0 MB) [DOI]
Sofia Kantorovich, Rudolf Weeber, Juan J. Cerdà, Christian Holm.
Magnetic particles with shifted dipoles.
Journal of Magnetism and Magnetic Materials 323(10):1269–1272, 2011.
[PDF] (401 KB) [DOI]
Juan J. Cerdà, Christian Holm, 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, Rudolf Weeber, Sofia Kantorovich, Christian Holm.
System of particles with shifted magnetic dipoles.
Magnetohydrodynamics 47(2):143–148, 2011.
[PDF] (400 KB) [URL]
Pedro A. Sánchez, Juan J. Cerdà, Vincent Ballenegger, Tomas Sintes, Oreste Piro, 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, Sofia Kantorovich, Juan J. Cerdà, 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, Victor Danilov, Alla Dobroserdova, Sofia Kantorovich, 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, Marcello Sega, Christian Holm.
Applying ICC$^{\star}$ to DNA translocation. Effect of dielectric boundaries.
Computer Physics Communications 182(1):33–35, 2011.
[PDF] (197 KB) [DOI]
Juan J. Cerdà, Vincent Ballenegger, 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(18):184110, 2011.
[PDF] (627 KB) [DOI]
Juan J. Cerda, Ekaterina Elfimova, Vincent Ballenegger, Ekaterina Krutikova, Alexey Ivanov, 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, Marcello Sega, 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(36):16336–16342, 2011.
[PDF] (4.6 MB) [DOI]
Bernward A. F. Mann, Olaf Lenz, Kurt Kremer, Christian Holm.
Hydrogels in Poor Solvents: A Molecular Dynamics Study.
Macromolecular Theory and Simulations 20(8):721–734, 2011.
[PDF] (1.7 MB) [DOI]
Sofia Kantorovich, Rudolf Weeber, Juan J. Cerdà, Christian Holm.
Ferrofluids with shifted dipoles: ground state structures.
Soft Matter 7(11):5217–5227, 2011.
[PDF] (518 KB) [DOI]
Vincent Ballenegger, Joan J. Cerdà, Christian Holm.
Removal of spurious self-interactions in particle-mesh methods.
Computer Physics Communications 182(9):1919–1923, 2011.
[PDF] (208 KB) [DOI]
Baofu Qiao, Juan J. Cerdà, Christian Holm.
Atomistic Study of Surface Effects on Polyelectrolyte Adsorption: Case Study of a Poly(styrenesulfonate) Monolayer.
Macromolecules 44(6):1707–1718, 2011.
[PDF] (3.6 MB) [DOI]
Fatemeh Tabatabaei, Olaf Lenz, Christian Holm.
Simulational study of anomalous tracer diffusion in hydrogels.
Colloid and Polymer Science 289:523–534, 2011.
[PDF] (449 KB) [Preprint] [DOI]
Badr Kaoui, Jens Harting, Chaouqi Misbah.
Two-dimensional vesicle dynamics under shear flow: Effect of confinement.
Physical Review E 83(6):066319, 2011.
[PDF] (1.1 MB) [DOI]
J. Hyväluoma, C. Kunert, J. Harting.
Simulations of slip flow on nanobubble-laden surfaces.
Journal of Physics: Condensed Matter 23(18):184106, 2011.
[PDF] (561 KB) [DOI]
Florian Janoschek, Federico Toschi, Jens Harting.
Simulations of Blood Flow in Plain Cylindrical and Constricted Vessels with Single Cell Resolution.
Macromolecular Theory and Simulations 20(7):562–570, 2011.
[PDF] (724 KB) [DOI]
F. Janoschek, F. Mancini, J. Harting, 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(1944):2337–2344, 2011.
[PDF] (421 KB) [DOI]
C. Gutsche, M. M. Elmahdy, K. Kegler, I. Semenov, T. Stangner, O. Otto, O. Ueberschär, U. F. Keyser, M. Krueger, M. Rauscher, R. Weeber, J. Harting, Y. W. Kim, V. Lobaskin, R. R. Netz, F. Kremer.
Micro-rheology on (polymer-grafted) colloids using optical tweezers.
Journal of Physics: Condensed Matter 23(18):184114, 2011.
[PDF] (1.5 MB) [DOI]
Christian Kunert, Jens Harting.
Lattice Boltzmann simulations of liquid film drainage between smooth surfaces.
IMA Journal of Applied Mathematics 76(5):761–773, 2011.
[PDF] (273 KB) [DOI]
Fabian Jansen, Jens Harting.
From bijels to Pickering emulsions: A lattice Boltzmann study.
Physical Review E 83(4):046707, 2011.
[PDF] (1.1 MB) [DOI]
Mohammad Kalteh, Abbas Abbassi, Majid Saffar-Avval, 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, Jens Harting.
Contact Angle Determination in Multicomponent Lattice Boltzmann Simulations.
Communications in Computational Physics 9:1165–1178, 2011.
[DOI]

2010

Christian Krekeler, Florian Dommert, Jochen Schmidt, Yuan Yuan Zhao, Christian Holm, Robert Berger, 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, Christian Holm.
Equilibrium polyelectrolyte bundles with different multivalent counterion concentrations.
Physical Review E 82(3):031901, 2010.
[PDF] (374 KB) [DOI]
Owen A. Hickey, Christian Holm, James L. Harden, Gary W. Slater.
Implicit Method for Simulating Electrohydrodynamics of Polyelectrolytes.
Physical Review Letters 105(14):148301, 2010.
[PDF] (204 KB) [DOI]
Juan J. Cerdà, Ekaterina Elfimova, Vincent Ballenegger, Ekaterina Krutikova, Alexey Ivanov, 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, Juan J. Cerdà, 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] (2.3 MB) [DOI]
Alexey Neelov, 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, Christian Holm.
Mesoscale modelling of polyelectrolyte electrophoresis.
Faraday Discussions 144:57–70, 2010.
[PDF] (984 KB) [DOI]
M. Hecht, 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, Mehmet Süzen, Marcello Sega, Marcia C. Barbosa, Sofia S. Kantorovich, Christian Holm.
An iterative, fast, linear-scaling method for computing induced charges on arbitrary dielectric boundaries.
The Journal of Chemical Physics 132(15):154112, 2010.
[PDF] (267 KB) [DOI]
Han Wang, Florian Dommert, 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, Jochen Schmidt, Christian Krekeler, Yuan Yuan Zhao, Robert Berger, Luigi Delle Site, 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, Christian Krekeler, Florian Dommert, Yuanyuan Zhao, Robert Berger, Luigi Delle Site, 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, Martin Hecht, Jens Harting, Hermann Nirschl.
Agglomeration and filtration of colloidal suspensions with DLVO interactions in simulation and experiment.
Journal of Colloid and Interface Science 349(1):186–195, 2010.
[PDF] (755 KB) [Preprint] [DOI]
Martin Horsch, Martina Heitzig, Calin Dan, Jens Harting, Hans Hasse, Jadran Vrabec.
Contact Angle Dependence on the Fluid-Wall Dispersive Energy.
Langmuir 26(13):10913–10917, 2010.
[PDF] (1.7 MB) [DOI]
Ariel Narvaez Salazar, Jens Harting.
Evaluation of Pressure Boundary Conditions for Permeability Calculations Using the Lattice-Boltzmann Method.
Advances in Applied Mathematics and Mechanics 2(5):685–700, 2010.
[PDF] (352 KB) [DOI] [URL]
Jens Harting, Christian Kunert, 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, Thomas Zauner, Frank Raischel, Rudolf Hilfer, 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, Jens Harting, Olga I. Vinogradova.
Random-Roughness Hydrodynamic Boundary Conditions.
Physical Review Letters 105(1):016001, 2010.
[PDF] (292 KB) [DOI]
F. Janoschek, F. Toschi, J. Harting.
Simplified particulate model for coarse-grained hemodynamics simulations.
Physical Review E 82(5):056710, 2010.
[PDF] (391 KB) [DOI]
Martin Hecht, Jens Harting.
Using Computational Steering to Explore the Parameter Space of Stability in a Suspension.
In High Performance Computing in Science and Engineering '09, pages 33–48. Edited by Wolfgang E. Nagel, Dietmar B. Kröner, Michael M. Resch.
Springer Berlin Heidelberg, Berlin, Heidelberg, 2010. ISBN: 978-3-642-04665-0.
[DOI]
P. Ojeda-May, M. E. Garcia.
Electric Field-Driven Disruption of a Native β-Sheet Protein Conformation and Generation of a Helix-Structure.
Biophysical Journal 99(2):595–599, 2010.
[PDF] (532 KB) [DOI]

2009

M. Hecht, J. Harting.
Using computational steering to explore the parameter space of stability in a suspension.
In High Performance Computing in Science and Engineering '09. Edited by D. Kröner M. Resch W. Nagel. Part of Transactions of the High Performance Computing Center.
Springer, 2009.
[PDF] (628 KB)
M. Hecht, 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, Martin Hecht.
A boundary condition with adjustable slip length for lattice Boltzmann simulations.
Journal of Statistical Mechanics 2009(09):P09017, 2009.
[PDF] (834 KB) [Preprint] [DOI]
Mehmet Süzen, Marcello Sega, Christian Holm.
Ensemble inequivalence in single-molecule-experiments.
Physical Review E 79(5):051118, 2009.
[PDF] (269 KB) [DOI]
Taisia Prokopieva, Victor Danilov, Sofia Kantorovich, Christian Holm.
Ground state structures in ferrofluid monolayers.
Physical Review E 80(3):031404, 2009.
[PDF] (616 KB) [DOI]
Jens Smiatek, Marcello Sega, Christian Holm, Ulf D. Schiller, Friederike Schmid.
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, Kurt Kremer, 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, Axel Arnold, 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, Tomás Sintes, 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, Baofu Qiao, Christian Holm.
Understanding polyelectrolyte multilayers: an open challenge for simulations.
Soft Matter 5:4412–4425, 2009.
[PDF] (1.7 MB) [DOI]
Juan J. Cerdà, Baofu Qiao, Christian Holm.
Modeling strategies for polyelectrolyte multilayers.
European Journal of Physics Special Topics 177(1):129–148, 2009.
[PDF] (971 KB) [DOI]
Kai Grass, Christian Holm.
Polyelectrolytes in electric fields: Measuring the dynamical effective charge and effective friction.
Soft Matter 5:2079–2092, 2009.
[PDF] (3.1 MB) [DOI]
Kai Grass, Christian Holm, Gary W. Slater.
Optimizing end-labeled free-solution electrophoresis by increasing the hydrodynamic friction of the drag labels.
Macromolecules 42(14):5352–5359, 2009.
[PDF] (1.4 MB) [Preprint] [DOI]

2008

Axel Arnold, 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, Joan J. Cerdà, Olaf Lenz, 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, Sofia Kantorovich, Christian Holm.
Aggregate formation in ferrofluid monolayers: simulations and theory.
Journal of Physics: Condensed Matter 20(20):204125, 2008.
[PDF] (342 KB) [DOI]
Juan J. Cerdà, Vincent Ballenegger, Olaf Lenz, Christian Holm.
P³M algorithm for dipolar interactions.
The Journal of Chemical Physics 129:234104, 2008.
[PDF] (516 KB) [Preprint] [DOI]
Juan J. Cerdà, Tomás Sintes, C. Holm, C. M. Sorensen, A. Chakrabarti.
Shear effects on crystal nucleation in colloidal suspensions.
Physical Review E 78(3):031403, 2008.
[PDF] (1001 KB) [DOI]
Florian Dommert, Jochen Schmidt, Baofu Qiao, Yuanyuan Zhao, Christian Krekeler, Luigi Delle Site, Robert Berger, Christian Holm.
A comparative study of two classical force fields on statics and dynamics of [EMIM][BF₄] investigated via molecular dynamics simulations.
The Journal of Chemical Physics 129(22):224501, 2008.
[PDF] (642 KB) [DOI]
Kai Grass, Ute Böhme, Ulrich Scheler, Hervé Cottet, Christian Holm.
Importance of Hydrodynamic Shielding for the Dynamic Behavior of Short Polyelectrolyte Chains.
Physical Review Letters 100(9):096104, 2008.
[PDF] (115 KB) [DOI]
Christof Gutsche, Friedrich Kremer, Matthias Krüger, Markus Rauscher, Rudolf Weeber, Jens Harting.
Colloids dragged through a polymer solution: experiment, theory and simulation.
The Journal of Chemical Physics 129(8):084902, 2008.
[PDF] (786 KB) [Preprint] [DOI]
J. Harting, H. J. Herrmann, E. Ben-Naim.
Anomalous distribution functions in sheared suspensions.
Europhysics Letters 83(3):30001, 2008.
[PDF] (282 KB) [Preprint] [DOI]
J. Harting, C. Kunert.
Boundary effects in microfluidic setups.
In NIC Symposium 2008, pages 221–228. Edited by G. Münster, D. Wolf, M. Kremer. Part of NIC series, volume 39.
2008. ISBN: 978-3-9810843-5-1.
[PDF] (472 KB) [URL]
Jens Harting, Christian Kunert, Jari Hyväluoma.
Lattice Boltzmann simulations in microfluidics: probing the boundary condition.
Microfluidics and Nanofluidics 8(1), 2008.
Proceedings of the 1st European Conference on Microfluidics - Microfluidics 2008
[PDF] (840 KB) [Preprint] [DOI]
J. Harting, T. Zauner, R. Weeber, R. Hilfer.
Flow in porous media and driven colloidal suspensions.
2008.
[PDF] (594 KB)
H. J. Herrmann, J. Harting, M. Hecht, 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. Edited by R. Klages et al..
Wiley-VCH, Weinheim, 2008.
ISBN-10: 3-527-40722-7
[PDF] (530 KB)
Jari Hyväluoma, Jens Harting.
Slip flow over structured surfaces with entrapped microbubbles.
Physical Review Letters 100(24):246001, 2008.
[PDF] (233 KB) [Preprint] [DOI]
Sofia Kantorovich, Juan J. Cerdà, Christian Holm.
Microstructure analyisis of monodisperse ferrofluid monolayers: theory and simulation.
Physical Chemistry Chemical Physics 10(14):1883–1895, 2008.
[PDF] (1.3 MB) [DOI]
Christian Kunert, Jens Harting.
On the effect of surfactant adsorption and viscosity change on apparent slip in hydrophobic microchannels.
Progress in Computational Fluid Dynamics 8(1/2/3/4):197, 2008.
[PDF] (432 KB) [Preprint] [DOI]
C. Kunert, J. Harting.
Simulation of fluid flow in hydrophobic rough microchannels.
In International Journal of Computational Fluid Dynamics, pages 475. Volume 22.
2008.
[PDF] (118 KB) [Preprint] [DOI]
Olaf Lenz, 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, H. J. Herrmann.
Approaches from statistical physics to model and study social networks.
In Statistical Mechanics Research. Edited by Byung-Soo Kim.
Nova Publishers, 2008.
in press
Pedro G. Lind, Reza M. Baram, Hans J. Herrmann.
Obtaining the size distributions of fault gouges with polydisperse bearings.
Physical Review E 77(2):021304, 2008.
[PDF] (342 KB) [Preprint] [DOI]
Baofu Qiao, Christian Krekeler, Robert Berger, Luigi Delle Site, 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, R. Hilfer.
Numerical Algorithm for Calculating the Generalized Mittag-Leffler Function.
SIAM Journal on Numerical Analysis 47(1):69–88, 2008.
[PDF] (1.3 MB) [DOI]
Sandeep Tyagi, Axel Arnold, 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, 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, P. E. Øren, S. Bakke, R. J. Held, R. Hilfer.
Stochastic multiscale model for carbonate rocks.
Physical Review E 75(6):061303, 2007.
[PDF] (364 KB) [DOI]
R. Bürger, A. Narváez.
Steady-state, control, and capacity calculations for flocculated suspensions in clarifier-thickeners.
International Journal of Mineral Processing 84(1–4):274–298, 2007.
[DOI]
O. Durán, H. J. Herrmann, L. P. Maia.
Evolution of Parabolic dunes in the northeastern Brazil.
2007.
in preparation
O. Durán, V. Schwämmle, H. J. Herrmann.
Barchan dune's size distribution induced by collisions.
2007.
submitted to Geophys. Res. Lett.; e-print: cond-mat/0701370
O. Durán, V. Schwämmle, P. G. Lind, H. J. Herrmann.
How barchan dunes distribute over desert.
2007.
submitted to PRL; e-print: cond-mat/0701367
M. C. Gonzaléz, H. J. Herrmann, J. Kertész, T. Vicsek.
Community structure and ethnic preferences in school friendship networks.
Physica A , 2007.
[Preprint] [DOI]
J. Harting, 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. Edited by Dietmar Kröner Wolfgang E. Nagel, Michael Resch.
Springer, 2007.
[PDF] (476 KB) [DOI]
J. Harting, G. Giupponi, 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
[PDF] (829 KB) [Preprint]
J. Harting, M. Hecht, C. Kunert, 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] (2.8 MB) [URL]
M. Hecht, J. Harting.
Structural Transitions in Colloidal Suspensions.
In High Performance Computing in Science and Engineering '07, pages 45–65. Edited by Dietmar Kröner Wolfgang E. Nagel, Michael Resch.
Springer, 2007.
[PDF] (358 KB) [DOI]
M. Hecht, J. Harting, 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, J. Harting, 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, Mehmet Sayar, Christian Holm.
Stability of Hydrophobically Modified Poly(p-phenylene)sulfonate Bundles as Observed by Molecular Dynamics Simulation.
Macromolecules 40(5):1703-1707, 2007.
[PDF] (239 KB) [DOI]
Alexey O. Ivanov, Sofia S. Kantorovich, Evgeniy N. Reznikov, Christian Holm, Alexander F. Pshenichnikov, Alexander V. Lebedev, Alexandros Chremos, Philip J. Camp.
Magnetic properties of polydisperse ferrofluids: A critical comparison between experiment, theory and computer simulation.
Physical Review E 75(6):061405, 2007.
[PDF] (339 KB) [DOI]
Christian Kunert, Jens Harting.
Roughness Induced Boundary Slip in Microchannel Flows.
Physical Review Letters 99(17):176001, 2007.
[PDF] (241 KB) [DOI]
N. Levin, H. Tsoar, L. P. Maia, V. Claudino-Sales, H. J. Herrmann, O. Durán.
Modeling the formation of vegetated arcuate marks behind barchan dunes in NE Brazil.
2007.
submitted
P. G. Lind, J. S. Andrade Jr., L. R. da Silva, H. J. Herrmann.
Spreading gossip in social networks.
Physical Review E 76:036117, 2007.
[Preprint]
P. G. Lind, J. S. Andrade Jr., L. R. da Silva, H. J. Herrmann.
The spread of gossip in American schools.
Europhysics Letters 78:68005, 2007.
[Preprint]
P. G. Lind, H. J. Herrmann.
New approaches to model and study social networks.
New Journal of Physics 9:228, 2007.
[Preprint]
P. G. Lind, A. Mora, Jason A. C. Gallas, M. Haase.
Minimizing stochasticity in the NAO index.
International Journal of Bifurcation and Chaos 17((10)):3461–3466, 2007.
Vladimir Lobaskin, Burkhard Dünweg, Martin Medebach, Thomas Palberg, 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, O. Durán, H. J. Herrmann.
Minimal size of a barchan dune.
Physical Review E 75:011301, 2007.
E. J. R. Parteli, O. Durán, V. Schwämmle, H. J. Herrmann, H. Tsoar.
Modeling seif dunes.
2007.
preprint
E. J. R. Parteli, H. J. Herrmann.
Saltation transport on Mars.
Physical Review Letters 98:198001, 2007.
[PDF] (231 KB)
M. Sayar, C. Holm.
Finite Size Polyelectrolyte Bundles at Thermodynamic Equilibrium.
Europhysics Letters 77:16001, 2007.
[PDF] (328 KB) [Preprint] [DOI]
Sandeep Tyagi, Axel Arnold, Christian Holm.
ICMMM2D: An accurate method to include planar dielectric interfaces via image charge summation.
The Journal of Chemical Physics 127(15):154723, 2007.
[PDF] (305 KB) [DOI]

2006

M. P. Almeida, J. S. Andrade Jr., H. J. Herrmann.
Aeolian transport layer.
Physical Review Letters (1):018001, 2006.
[Preprint]
Dmytro Antypov, 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, C. P. Capano, 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, Bernward A. Mann, Christian Holm.
Simulating Charged Systems with ESPResSo.
In Computer Simulations in Condensed Matter: from Materials to Chemical Biology, pages 193–222. Edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder. Part of Lecture Notes in Physics, volume 703.
Springer, Berlin, Germany, 2006. ISBN: 3-540-35273-2.
[PDF] (1.3 MB) [DOI]
B. Biswal, B. R. Niranjan, G. Ullal, 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, J. Peinke, D. Kleinhans, R. Friedrich, P. G. Lind, M. Haase.
Reconstruction of complex dynamical systems affected by strong measurement noise.
Physical Review Letters 97:090603, 2006.
[Preprint]
R. Bürger, F. Concha, K. Karlsen, 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, H. J. Herrmann.
Modelling of saturated sand flux.
Journal of Statistical Mechanics 2006(07):P07011, 2006.
[DOI]
O. Durán, H. J. Herrmann.
Vegetation against dune mobility.
Physical Review Letters 97:188001, 2006.
[Preprint]
E. Gerolymatou, I. Vardoulakis, R. Hilfer.
Modeling Infiltration by Means of a Fractional Diffusion Equation.
Journal of Physics D 39:4104–4110, 2006.
[PDF] (443 KB)
E. Gerolymatou, I. Vardoulakis, 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, J. Harting, P. V. Coveney.
Emergence of rheological properties in lattice Boltzmann simulations of gyroid mesophases.
Europhysics Letters 73:533–539, 2006.
[PDF] (248 KB) [Preprint]
M. C. Gonzaléz, P. G. Lind, H. J. Herrmann.
A system of mobile agents to model social networks.
Physical Review Letters 96:088702, 2006.
[Preprint]
M. C. Gonzaléz, P. G. Lind, H. J. Herrmann.
Model of mobile agents for sexual interactions networks.
European Physical Journal B 49:371–376, 2006.
[Preprint]
M. C. Gonzaléz, P. G. Lind, H. J. Herrmann.
Networks based on collisions among mobile agents.
Physica D 224:137–148, 2006.
[Preprint]
M. C. Gonzaléz, A. O. Sousa, 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, H. P. Singh, B. Biswal, 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, G. Giupponi.
Rheological properties of binary and ternary amphiphilic fluid mixtures.
In High Performance Computing in Science and Engineering '06. Edited by W. Jäger M. Resch W. Nagel. Part of Transactions of the High Performance Computing Center.
Springer, 2006.
[PDF] (245 KB)
J. Harting, M. Hecht, H. J. Herrmann.
Simulation of particle suspensions at the Institute for Computational Physics.
In High Performance Computing in Science and Engineering '06. Edited by W. Jäger M. Resch W. Nagel. Part of Transactions of the High Performance Computing Center.
Springer, 2006.
[PDF] (245 KB)
J. Harting, M. Hecht, H. J. Herrmann, S. McNamara.
Computer simulation of particle suspensions.
Multifield Problems in Solid and Fluid Mechanis, Lecture Notes in Applied and Computational Mechanics 28, Springer , 2006.
[PDF] (604 KB) [Preprint]
J. Harting, A. Komnik, H. J. Herrmann.
Lattice-Boltzmann Simulations of Transport Phenomena and Structuring in Suspensions.
In Behavior of Granular Media. Edited by P. Walzel, S. Linz, Ch. Krülle, R. Grochowski.
Shaker, 2006.
[PDF] (87 KB)
J. Harting, C. Kunert, H. J. Herrmann.
Lattice Boltzmann simulations of apparent slip in hydrophobic microchannels.
Europhysics Letters 75:328–334, 2006.
[PDF] (162 KB) [Preprint] [DOI]
M. Hecht, J. Harting, M. Bier, J. Reinshagen, 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. Edited by C. Maar, H. Burda.
Dumont, 2006.
H. J. Herrmann, R. Mahmoodi-Baram, M. Wackenhut.
Dense Packings.
Brazilian Journal of Physics 36:610–613, 2006.
Proceedings of conference in Ouro Preto
Berk Hess, Christian Holm, Nico van der Vegt.
Modeling multi-body effects in ionic solutions with a concentration dependent dielectric permittivity.
Physical Review Letters 96:147801, 2006.
[PDF] (115 KB) [DOI]
Berk Hess, Christian Holm, Nico van der Vegt.
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, 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] (2.3 MB)
Christian Holm, Alexey Ivanov, Sofia Kantorovich, Elena Pyanzina, 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] (1.0 MB) [DOI]
Christian Holm, Alexey Ivanov, Sofia Kantorovich, Elena Pyanzina.
Polydispersity influence upon magnetic properties of aggregated ferrofluids.
Zeitschrift für Physikalische Chemie 220:105–115, 2006.
[PDF] (261 KB) [DOI]
F. Kun, R. C. Hidalgo, F. Raischel, H. J. Herrmann.
Extension of fibre bundle models for creep rupture and interface failure.
International Journal of Fracture 140:255–265, 2006.
F Kun, FK Wittel, HJ Herrmann, BH Kröplin, KJ Måløy.
Scaling Behavior of Fragment Shapes.
Physical Review Letters 96(2):025504, 2006.
[Preprint]
H. J. Limbach, A. Arnold, B. A. Mann, C. 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, A. Nunes, Jason A. C. Gallas.
Impact of bistability in the synchronization of chaotic maps with delayed coupling.
Physica A 371:100–103, 2006.
[Preprint]
Bernward Mann, Christian Holm, Kurt Kremer.
The Swelling Behaviour of Charged Hydrogels.
Macromolecular Symposia 237:90–107, 2006.
[PDF] (563 KB) [DOI]
S. McNamara, M. Strauß, F. Zeller, H. J. Herrmann.
Simulations of dense-phase pneumatic conveying.
In Behavior of Granular Media, pages 17–23. Edited by P. Walzel, S. Linz, Ch. Krülle, R. Grochowski. Part of Schriftenreihe Mechanische Verfahrenstechnik, volume 9.
Shaker Verlag, Aachen, 2006. ISBN: 978-3-8322-5524-4.
[URL]
Frank Mühlbacher, Christian Holm, Helmut Schiessel.
Controlled DNA compaction within chromatin: The tail-bridging effect.
Europhysics Letters 73(1):135–141, 2006.
[PDF] (273 KB) [DOI]
Frank Mühlbacher, Helmut Schiessel, Christian Holm.
Tail-induced attraction between nucleosome core particles.
Physical Review E 74:031919, 2006.
[PDF] (811 KB) [DOI]
E. J. R. Parteli, O. Durán, H. J. Herrmann.
The shape of the Barchan Dunes in the Arkhangelsky Crater on Mars.
In Proceedings of "Lunar and Planetary Science XXXVII", pages 1827.
2006.
E. J. R. Parteli, V. Schwämmle, H. J. Herrmann, L. H. U. Monteiro, L. P. Maia.
Profile measurement and simulation of a transverse dune field in the Lençóis Maranhenses.
Geomorphology 81:29–42, 2006.
[PDF] (1.3 MB) [Preprint] [DOI]
D. R. Paula, A. D. Araújo, S. Andrade Jr., H. J. Herrmann, J. A. C. Gallas.
Periodic neural activity induced by network complexity.
Physical Review E 74(1):017102, 2006.
also in Virt. J. of Biol. Phys., August 1, 2006
[PDF] (88 KB) [Preprint] [DOI]
F. Raischel, F. Kun, H. J. Herrmann.
Fiber bundle models for composite materials.
In Conference on Damage in Composite Materials.
2006.
Frank Raischel, Ferenc Kun, Hans J. Herrmann.
Local load sharing fiber bundles with a lower cutoff of strength disorder.
Physical Review E 74(3):035104 (R), 2006.
[PDF] (425 KB) [Preprint] [DOI]
F. Raischel, F. Kun, R. C. Hidalgo, 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, H. Tsoar, K. S. Edgett, E. J. R. Parteli, 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.
[Preprint]
V. Schwämmle, E. Brigatti.
Speciational view of macroevolution: Are micro and macroevolution decoupled?
Europhysics Letters 75:342–348, 2006.
[Preprint] [DOI]
V. Schwämmle, K. Luz-Burgoa, S. M. de Oliveira, J. S. Sá Martins.
Phase transition in a mean-field model for sympatric speciation.
Physica A 369(2):612–618, 2006.
[Preprint]
V. Schwämmle, A. O. Sousa, S. M. de Oliveira.
Monte Carlo Simulations of Parapatric Speciation.
European Physical Journal B: Condensed Matter Physics 51:563–570, 2006.
[Preprint] [DOI]
M. Strauss, H. J. Herrmann, S. McNamara, G. Niederreiter, K. Sommer.
Plug conveying in a vertical tube.
Powder Technology 162:16–26, 2006.
[Preprint]
Mikhail R. Stukan, Vladimir A. Lobaskin, Christian Holm, Olga I. Vinogradova.
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, V. H. Arakeri, P. R. Nott, J. D. Goddard, 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, H. J. Herrmann.
Magnetic models on Apollonian networks.
Physical Review E 71:056131, 2005.
[Preprint]
Dmytro Antypov, Marcia C. Barbosa, 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, Christian Holm.
Efficient methods to compute long range interactions for soft matter systems.
In Advanced Computer Simulation Approaches for Soft Matter Sciences II, pages 59–109. Edited by C. Holm, K. Kremer. Part of Advances in Polymer Science.
Springer, Berlin, 2005. ISBN: 9783540260912.
[PDF] (1.1 MB) [DOI]
Axel Arnold, Christian Holm.
MMM1D: A method for calculating electrostatic interactions in one-dimensional periodic geometries.
The Journal of Chemical Physics 123(12):144103, 2005.
[PDF] (122 KB) [DOI]
B. Behera, F. Kun, S. McNamara, H. J. Herrmann.
Fragmentation of a circular disc by impact on a frictionless plate.
Journal of Physics: Condensed Matter 17:S2439–S2456, 2005.
[Preprint]
B. Behera, F. Kun, S. McNamara, H. J. Herrmann.
Fragmentation of a circular disc by projectiles.
cond-mat 0404057, 2005.
submitted to Euro.Phys.J.B
C. T. David, R. García-Rojo, H. J. Herrmann, S. Luding.
Hysteresis and creep in powders and grains.
In Proceedings of Powders and Grains 2005, pages 291–294. Edited by R. Garcia-Rojo, H. J. Herrmann, S. McNamara.
Balkema, Leiden, 2005.
[PDF] (1.4 MB)
O. Durán, V. Schatz, H. J. Herrmann, H. Tsoar.
Transformation of Barchans into Parabolic Dunes under the Influence of Vegetation.
In Proceedings of Powders and Grains 2005, pages 951–954,. Edited by R. Garcia-Rojo, H. J. Herrmann, S. McNamara.
Balkema, Leiden, 2005.
[Preprint]
O. Durán, V. Schwämmle, H. J. Herrmann.
Breeding and Solitary Wave Behavior of Dunes.
Physical Review E 72:021308, 2005.
[Preprint]
F. Fonseca, H. J. Herrmann.
Simulation of the sedimentation of a falling oblate ellipsoid.
Physica A 345:341–355, 2005.
[Preprint]
Jason A. C. Gallas, H. J. Herrmann.
Spontaneous emergence of spatio-temporal order in class 4 automata.
Physica A 356:78–82, 2005.
[Preprint]
E. Gerolymatou, I. Vardoulakis, R. Hilfer.
Simulating the Saturation Front Using a Fractional Diffusion Model.
In Proceedings of the GRACM05 International Congress on Computational Mechanics, Limassol 2005, pages 653. Edited by Georgios Georgiou, Panos Papanastasiou, Manolis Papadrakakis.
GRACM, Athens, 2005. ISBN: 9963-644-51-1.
[PDF] (486 KB)
G. González, P. G. Lind, H. J. Herrmann.
Model of mobile agents for sexual interaction networks.
physics 0508145, 2005.
submitted to EPJB
M. C. Gonzaléz, H. J. Herrmann, 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, J. Chin, M. Venturoli, 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.
[PDF] (2.9 MB) [Preprint] [DOI]
M. Hecht, J. Harting, T. Ihle, H. J. Herrmann.
Simulation of Claylike Colloids.
Physical Review E 72:011408, 2005.
[PDF] (438 KB) [Preprint] [DOI]
Olaf Herbst, R. Cafiero, A. Zippelius, H. J. Herrmann, 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. Edited by 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, J. S. Andrade Jr., V. Schatz, G. Sauermann, E. J. R. Parteli.
Calculation of the separation streamlines of barchans and transverse dunes.
Physica A 357:44–49, 2005.
[Preprint]
H. J. Herrmann, O. Durán, E. J. R. Parteli, V. Schatz.
Vegetation and induration as sand dunes stabilizators.
Journal of Coastal Research , 2005.
special issue: proceedings of ICS 2005
H. J. Herrmann, E. J. R. Parteli, V. Schwämmle, L. H. U. Monteiro, L. P. Maia.
The coastal dunes of the Lencois Maranhenses.
Journal of Coastal Research , 2005.
special issue: proceedings of ICS 2005
H. J. Herrmann, G. Sauermann, V. Schwämmle.
The morphology of dunes.
Physica A 358:30–38, 2005.
proceedings Marrakesch
[PDF] (303 KB)
H. J. Herrmann, V. Schatz.
Numerical methods for aeolian transport.
In Computer Methods in Mechanics 2005, pages 13–14. Edited by B. Mochnacki A. Garstecki, N. Sczygiol.
Czestochowa, 2005.
[PDF] (163 KB)
R. C. Hidalgo, F. Kun, 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, B. Biswal, H. G. Mattutis, 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.
In Traffic and Granular Flow '03, pages 475–488. Edited by S. P. Hoogendoorn, S. Luding, P. H. L. Bovy, M. Schreckenberg, D. E. Wolf.
Springer Berlin Heidelberg, 2005. ISBN: 978-3-540-25814-8.
[PDF] (166 KB) [DOI]
Christian Holm, Jean-Jacque Weis.
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, Z. W. Wang, C. Holm.
Computer simulations of the structure of colloidal ferrofluids.
Physical Review E 71(6):061203, 2005.
[PDF] (1.1 MB) [DOI]
J. P. Huang, Z. Wang, 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, R. Helmig, R. Hilfer.
Effects of Heterogeneity on Upscaling of Two Phase Flow in Anisotropic Porous Media.
Physical Review E submitted:preprint, 2005.
F. Kun, F. K. Wittel, H. J. Herrmann, B. H. Kröplin.
Scaling laws of fragment shapes.
2005.
[Preprint]
J. H. Lee, A. O. Sousa, E. J. R. Parteli, H. J. Herrmann.
Modelling formation and evolution of transverse dune fields.
International Journal of Modern Physics C 12(16):1879–1892, 2005.
[Preprint] [DOI]
Hans Jörg Limbach, Kurt Kremer, Christian Holm.
Computer Simulations of the “Hairy Rod” model.
Macromolecular Chemistry and Physics 206:77–82, 2005.
[PDF] (209 KB) [DOI]
P. G. Lind, Jason A. C. Gallas.
Inducing periodicity in lattices of chaotic maps with advection.
Physica Scripta T118:143–147, 2005.
[Preprint]
P. G. Lind, M. C. Gonzaléz.
Cycles and clustering in bipartite networks.
Physical Review E 72:056127, 2005.
[PDF] (186 KB)
P. G. Lind, A. Mora, Jason A. C. Gallas, M. Haase.
Reducing stochasticity in the North Atlantic Oscillation index with coupled Langevin equations.
Physical Review E 72:056706, 2005.
[PDF] (1.5 MB)
S. Luding, K. Manetsberger, 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, Christian Holm, Kurt Kremer.
Swelling of Polyelectrolyte Networks.
The Journal of Chemical Physics 122(15):154903, 2005.
[PDF] (811 KB) [DOI]
S. McNamara, R. García-Rojo, H. J. Herrmann.
Indeterminacy and the Onset of Motion in a Simple Granular Packing.
Physical Review E 72:021304, 2005.
[PDF] (145 KB) [Preprint]
S. McNamara, R. García-Rojo, H. J. Herrmann.
The stress-strain curve of cyclic loading: microscopic, analytical results.
In Proceedings of Powders and Grains 2005, pages 295–299. Edited by R. Garcia-Rojo, H. J. Herrmann, S. McNamara.
Balkema, Leiden, 2005.
[PDF] (147 KB)
F. Osanloo, S. McNamara, H. J. Herrmann.
A simple model of sediment transport.
In Proceedings of Powders and Grains 2005, pages 1005–1008. Edited by R. Garcia-Rojo, H. J. Herrmann, S. McNamara.
Balkema, Leiden, 2005.
[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. Edited by J. Badura, S. Schmidt.
Universität Stuttgart, 2005.
[PDF] (276 KB)
E. J. R. Parteli, M. A. F. Gomes, 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, V. Schatz, H. J. Herrmann.
Barchan dunes on Mars and on Earth.
In Proceedings of Powders and Grains 2005, pages 959–962. Edited by H. J. Herrmann R. Garcia-Rojo, S. McNamara.
Balkema, Leiden, 2005.
[PDF] (343 KB)
A. A. Peña, A. Lizcano, F. Alonso-Marroquin, H. J. Herrmann.
Investigation of the asymptotic states of granular materials using a discrete model of anisotropic particles.
In Proceedings of Powders and Grains 2005, pages 697–700. Volume 1.
Balkema, 2005.
F. Raischel, F. Kun, H. J. Herrmann.
Failure process of a bundle of plastic fibers.
2005.
[Preprint]
F. Raischel, F. Kun, H. J. Herrmann.
Simple beam model for the shear failure of interfaces.
Physical Review E 72:046126, 2005.
[PDF] (696 KB) [Preprint]
P. C. Rech, M. W. Beims, Jason A. C. Gallas.
Basin size evolution between dissipative and conservative limits.
Physical Review E 71:017202, 2005.
[PDF] (292 KB)
A. S. Ribeiro, P. G. Lind.
Effects of lattice structure in the dynamics of coupled elements.
Physica Scripta T118:165–167, 2005.
[PDF] (101 KB)
V. Schatz, H. J. Herrmann.
Flow separation in the lee of transverse dunes.
In Proceedings of Powders and Grains 2005, pages 955–958. Edited by R. Garcia-Rojo, H. J. Herrmann, S. McNamara.
Balkema, Leiden, 2005.
[Preprint]
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, H. J. Herrmann.
A model of Barchan dunes including lateral shear stress.
European Physical Journal E 16:57–65, 2005.
[Preprint]
V. Schwämmle, 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, S. M. de Oliveira.
Simulations of a mortality plateau in the sexual Penna model for biological ageing.
Physical Review E 72:031911, 2005.
[Preprint]
H. J. Seybold, 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(3):517–521, 2005.
[PDF] (100 KB) [DOI]
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, H. J. Herrmann.
The reversible polydisperse parking lot model.
Physical Review E 68:041303, 2005.
[Preprint]
M. Wackenhut, S. McNamara, H. J. Herrmann.
A hierarchical model for simulating very polydisperse granular media.
In Proceedings of Powders and Grains 2005, pages 1311–1315. Edited by R. Garcia-Rojo, H. J. Herrmann, S. McNamara.
Balkema, Leiden, 2005.
[PDF] (219 KB)
M. Wackenhut, S. McNamara, H. J. Herrmann.
Shearing behaviour of polydisperse media.
European Physical Journal E 17:237–246, 2005.
[Preprint]
F. K. Wittel, F. Kun, H. J. Herrmann, 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.
Edited by Christian Holm, Patrick Kékicheff, Rudolf Podgornik. Part of NATO Science Series II - Mathematics, Physics and Chemistry, volume 46.
Kluwer Academic Publishers, Dordrecht, Netherlands, 2001. ISBN: 1-4020-0197-5.
[DOI]

Advanced Computer Simulation Approaches for Soft Matter Sciences I

Advanced Computer Simulation Approaches for Soft Matter Sciences I.
Edited by Christian Holm, Kurt Kremer. Part of Advances in Polymer Science, volume 173.
Springer, Berlin, 2005. ISBN: 3-540-22058-5.
[PDF] (4.5 MB) [DOI]

Advanced Computer Simulation Approaches for Soft Matter Sciences II

Advanced Computer Simulation Approaches for Soft Matter Sciences II.
Edited by Christian Holm, Kurt Kremer. Part of Advances in Polymer Science, volume 185.
Springer, Berlin, 2005. ISBN: 978-3-540-26091-2.
[PDF] (3.6 MB) [DOI]

Advanced Computer Simulation Approaches for Soft Matter Sciences III

Advanced Computer Simulation Approaches for Soft Matter Sciences III.
Edited by Christian Holm, Kurt Kremer. Part of Advances in Polymer Science, volume 221.
Springer, Berlin, 2009. ISBN: 978-3-540-87706-6.
[PDF] (8.8 MB) [DOI]

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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Difference between revisions of "Publications"

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