Logo der Universität Wien

2010

  1. P. G. Bolhuis and C. Dellago, Trajectory based rare event simulations, Review of Computational Chemistry 27, 111-210 (2010). DOI:10.1002/9780470890905.ch3

  1. Dellago C. and Grünwald M. (2010), Transition Path Sampling Studies of Solid-Solid Transformations in Nanocrystals under Pressure, Trends in Computational Nanomechanics: Transcending Lengths and Time Scales, Springer Series: Challenges and Advances in Computational Chemistry and Physics, Vol. 9, pp. 61-884, Ed. Traian Dumitrica. DOI:10.1007/978-1-4020-9785-0_3

  1. H. Bosetti, H.A. Posch, C. Dellago, W.G. Hoover, Time-reversal symmetry and covariant Lyapunov vectors for simple particle models in and out of equilibrium, Physical Review E 82, 046218 (2010). DOI:10.1103/PhysRevE.82.046218

  1. H. Bosetti, H.A. Posch, Covariant Lyapunov vectors for rigid disk systems, Chemical Physics 375, 296-308 (2010).

  1. J. Köfinger and C. Dellago, Single-file water as a one-dimensional Ising model, New Journal of Physics, 12, 093044 (2010). DOI:10.1088/1367-2630/12/9/093044

  1. E. Schöll-Paschinger and C. Dellago, Demixig of binary symmetric mixture studies with transition path sampling, Journal of Chemical Physics 133, 104505 (2010)<xml></xml>. DOI:10.1063/1.3486173

  1. P. Geiger and C. Dellago, Optimum protocol for fast-switching free energy calculations, Physical Review E 81, 021127 (2010). DOI:10.1103/PhysRevE.81.021127

  1. B. Capone, I. Coluzza, J.P. Hansen, "Competing micellar and cylindrical phases in semi-dilute diblock copolymer solutions", Soft Matter, 6, 6075-6078 (2010).

  1. T. Schilling, S. Jungblut, M.A. Miller, "Networks of nanorods", in Handbook of Nanophysics: Nanotube and Nanowires, edited by K.D. Sattler, Taylor and Francis (2010).

  1. S. Huißmann, C. N. Likos, and R. Blaak, Conformations of high-generation dendritic polyelectrolytes, Journal of Materials Chemistry 20, 10486-01494 (2010).

  1. M. Camargo, A. J. Moreno, and C. N. Likos, Dynamics in binary cluster crystals, Journal of Statistical Mechanics: Theory and Experiment, JSTAT P10015 (2010).

  1. A. Nikoubashman and C. N. Likos, Flow-induced polymer translocation through narrow and patterned channels, Journal of Chemical Physics 133, 074901 (2010).

  1. A. Wilk, S. Huißmann, E. Stiakakis, J. Kohlbrecher, D. Vlassopoulos, C. N. Likos, G. Meier, J. K. G. Dhont, G. Petekidis, and R. Vavrin, Osmotic shrinkage in star-linear polymer mixtures, European Physical Journal E 32, 127-134 (2010).

  1. J. Fornleitner, G. Kahl, and C. N. Likos, Tailoring the phonon band structure of binary colloidal mixtures, Physical Review E: Rapid Communications 81, 060401 (2010).

  1. A. Narros, A. J. Moreno, and C. N. Likos, Influence of topology on effective potentials: coarse-graining ring polymers, Soft Matter 6, 2435-2441 (2010).

  1. S. Huißmann, A. Wynveen, C. N. Likos, and R. Blaak, The effects of pH, salt and bond stiffness on charged dendrimers, Journal of Physics: Condensed Matter 22, 232101 (2010).

  1. A. Nikoubashman and C. N. Likos, Self-assembled structures of Gaussian nematic particles, Journal of Physics: Condensed Matter 22, 104107 (2010).

  1. M. Camargo and C. N. Likos, Unusual features of depletion interactions in soft polymer-based colloids mixed with linear homopolymers, Physical Review Letters 104, 078301 (2010).

  1. A. Nikoubashman and C. N. Likos, Branched polymers under shear, Macromolecules 43, 1610-1620 (2010).

  1. A. Wynveen and C. N. Likos, Interactions between planar polyelectrolyte brushes: effects of stiffness and salt, Soft Matter 6, 163-171 (2010).

  1. F. Lo Verso, A. Z. Panagiotopoulos, and C. N. Likos, Phase behavior of low-functionality telechelic star block copolymers, Faraday Discussions 144, 143-157 (2010).

2009

  1. A. Tröster, Momentum-shell renormalisation-group flow from simulation, Physical Review E 79, 036707 (2009).

  1. T. Bucko, L. Benco, O. Dubay, C. Dellago and J. Hafner, Mechanism of alkane dehydrogenation catalyzed by acidic zeolites: ab-initio transition path sampling, Journal of Chemical Physics 131, 214508 (2009).

  1. S. Varga and F. J. Vesely, A new generic model potential for mesogenic systems: Square well line potential of variable range, Journal of Chemical Physics 131, 194506 (2009).

  1. S. Varga, E. Velasco, L. Mederos and F. J. Vesely, Stability of the columnar and smectic phases of length-bidisperse parallel hard cylinders, Molecular Physics, 107 (23-24), 2481-2492 (2009).

  1. D. Mukamel and H. A. Posch, Soft disks in a narrow channel, Journal of Statistical Mechanics: Theory and Experiment, P03014 (2009).

  1. J. A. van Meel and H. A. Posch, Lyapunov instability of rough hard-disk fluids, Physical Review E 80, 016206 (2009).

  1. M. Grünwald and C. Dellago, Transition state analysis of solid-solid transformations in nanocrystals, Journal of Chemical Physics 131, 164116 (2009).

  1. J. Köfinger and C. Dellago, Orientational Dynamics and Dielectric Response of Nanopore Water, Physical Review Letters 103, 080601 (2009).

  1. W. Lechner and C. Dellago, Defect interactions in two-dimensional colloidal crystals: vacancy and interstitial strings, Soft Matter 5, 2752-2758 (2009).

  1. M. Grünwald and C. Dellago, Nucleation and growth in structural transformations of nanocrystals, Nano Letters 9(5), 2099-2102 (2009).

  1. H. Oberhofer and C. Dellago, Efficient extraction of free energy profiles from non-equilibrium experiments, Journal of Computational Chemistry 30(11), 1726-1736 (2009).

  1. B. Reischl, J. Köfinger, and C. Dellago, The statistics of electric field fluctuations in liquid water, Molecular Physics 107, 4-6, 495-502 (2009).

  1. J. Köfinger, G. Hummer, and C. Dellago, A one-dimensional dipole lattice model for water in narrow nanopores, Journal of  Chemical Physics 130, 154110 (2009).

  1. A. Tröster and C. Dellago, The Fourier Monte Carlo Approch to Lattice Spin Models,  Computer Simulation Studies in Condensed Matter Physics XXI, Eds. D.P. Landau, S.P. Lewis, and H.B. Schüttler, Springer (2009).

  1. C. Dellago and M. Grünwald, Transition Path Sampling Studies of Solid-Solid Transformations in Nanocrystals under Pressure, Trends in Computational Nanomechanics: Transcending Time and Space, edited by T. Dumitrica, Series: Advances in Computational Chemistry and Physics, Springer Verlag (2009).

  1. W. Lechner and C. Dellago, Point defects in two-dimensional colloidal crystals: simulation vs. elasticity theory, Soft Matter 5,  646 (2009).

  1. Yu Trukhina, S. Jungblut, P. van der Schoot and T. Schilling, Osmotic compression of droplets of hard rods: A computer simulation study, Journal of  Chemical Physics 130, 164513 (2009).

  1. D. A. Lenz, R. Blaak, and C. N. Likos, Colloid-dendrimer complexation, Soft Matter 5, 4542-4548 (2009).

  1. A. Chremos and C. N. Likos, Crystal structures of two-dimensional binary mixtures of magnetic colloids in tilted external fields, Journal of Physical Chemistry B 113, 12316-12325 (2009).

  1. A. Wynveen and C. N. Likos, Interactions between planar stiff polyelectrolyte brushes, Physical Review E Rapid communications 80, 080801(R) (2009).

  1. D. A. Lenz, R. Blaak, and C. N. Likos, Adsorption characteristics of amphiphilic dendrimers, Soft Matter 5, 2905-2912 (2009).

  1. M. Kahn, J.-J. Weis, C. N. Likos, and G. Kahl, Ordered equilibrium structures in soft matter systems between two and three dimensions, Soft Matter 5, 2852-2857 (2009).

  1. S. D. Overduin and C. N. Likos, Clustering in nondemixing mixtures of repulsive particles, Journal of Chemical Physics 131, 034902 (2009).

  1. J. Fornleitner, F. Lo Verso, G. Kahl, and C. N. Likos, Ordering in two-dimensional dipolar mixtures, Langmuir 25, 7836-7846 (2009).

  1. M. Camargo and C. N. Likos, Phase separation in star-linear polymer mixtures, Journal of Chemical Physics 130, 204904 (2009).

  1. T. Tückmantel, F. Lo Verso, and C. N. Likos, Ground states of ultrasoft particles with attractions: a genetic algorithm approach, Molecular Physics 107, 523-534 (2009).

  1. S. Huißmann, R. Blaak, and C. N. Likos, Star polymers in solvents of varying quality, Macromolecules 42, 2806-2816 (2009).

  1. F. Lo Verso, A. Z. Panagiotopoulos, and C. N. Likos, Aggregation phenomena in telechelic star polymer solutions, Physical Review E Rapid Communications 79, 010401(R) (2009).

  1. S. D. Overduin and C. N. Likos, Phase behaviour of binary mixtures of ultrasoft repulsive particles, Europhysics Letters 85, 26003 (2009).

  1. C. Mayer, F. Sciortino, C. N. Likos, P. Tartaglia, H. Löwen, and E. Zaccarelli, Multiple glass transitions in star polymer mixtures: insight from theory and simulations, Macromolecules 42, 423-434 (2009).

  1. S. van Teeffelen, A. J. Moreno, and C. N. Likos, Cluster crystals in confinement, Soft Matter 5, 1024-1038 (2009).

2008

  1. C. Dellago and P. G. Bolhuis, Transition Path Sampling and other Advanced Simulation Techniques for Rare Events, Advances in Polymer Science, Vol. 221: 167-233 on Advanced Computer Simulation Approaches for Soft Matter Sciences III, Eds. C. Holm, K. Kremer, Springer (2008).

  1. C. Dellago and H. A. Posch, Realizing Boltzmann's dream: computer simulations in modern statistical mechanics, ESI Lectures in Mathematics and Physics "Boltzmann's legacy", Eds. G. Gallavotti, W. L. Reiter and J. Yngvason, European Mathematical Society (2008).

  1. C. Dellago, Metastability and Rare Events in Complex Systems, ESI News, Vol. 3, Issue 2 (Autumn 2008).

  1. M. Grünwald, C. Dellago, P. L. Geissler, Precision shooting: Sampling long transition pathways, Journal of Chemical Physics 129, 194101 (2008). (also published in: Virtual Journal of Nanoscale Science & Technology, Vol. 18, Issue 22, Dec. 2008).

  1. J. Köfinger, G. Hummer, and C. Dellago, Macroscopically Ordered Water in Nanopores, Proceedings of the National Academy of Sciences 105, 13218 (2008).

  1. M. Marksteiner, P. Haslinger, H. Ulbricht, M. Sclafani, H. Oberhofer, C. Dellago, and M. Arndt, Gas-phase formation of large neutral alkaline-earth metal tryptophan complexes, Journal of the American Society for Mass Spectrometry 19, 1021 (2008).

  1. W. Lechner and C. Dellago, Accurate determination of crystal structures based on averaged local bond order parameters, Journal of Chemical Physics 129, 114707 (2008).

  1. W. Lechner, E. Schöll-Paschinger and C. Dellago, Displacement fields of point defects in two-dimensional colloidal crystals, Journal of Physics: Condensed Matter 20, 404202 (2008).

  1. A. Tröster, Evidence for Fisher renormalization in the compressible phi4-model, Physical Review Letters 100, 140602 (2008).

  1. H. Oberhofer and C. Dellago, Optimum bias for fast-switching free energy calculations, Computer Physics Communications 179, 41 (2008).

  1. U. Omasits,  B. Knapp,  M. Neumann,  O. Steinhauser,  H. Stockinger,  R. Kobler and W. Schreiner, Analysis of key parameters for molecular dynamics of pMHC molecules, Molecular Simulations 34, 781 (2008).

  1. Sz. Varga, A. Gabor, E. Velasco, L. Mederos, and F. Vesely, Demixed and ordered phases in hard-rod mixture, Molecular Physics 106/15, 1939 (2008).

  1. B. M. Mladek, P. Charbonneau, C. N. Likos, D. Frenkel, and G. Kahl, Multiple occupancy crystals formed by purely repulsive soft particles, Journal of Physics: Condensed Matter 20, 494245 (2008).

  1. C. N. Likos, R. Blaak, and A. Wynveen, Computer simulations of polyelectrolyte stars and brushes, Journal of Physics: Condensed Matter 20, 494221 (2008).

  1. S. van Teeffelen, H. Löwen, and C. N. Likos, Crystallization of magnetic dipolar monolayers: a density functional approach, Journal of Physics: Condensed Matter 20, 404217 (2008).

  1. R. Blaak, S. Lehmann, and C. N. Likos, Charge-induced conformational changes of dendrimers, Macromolecules 41, 4452-4458 (2008).

  1. H. H. Wensink, H. Löwen, M. Rex, C. N. Likos, and S. van Teeffelen, Long-time self-diffusion for Brownian Gaussian-core particles, Computer Physics Communications 179, 77-81 (2008).

  1. C. N. Likos, B. M. Mladek, A. J. Moreno, D. Gottwald, and G. Kahl, Cluster-forming systems of ultrasoft repulsive particles: statics and dynamics, Computer Physics Communications 179, 71-76 (2008).

  1. C. Mayer, E. Zaccarelli, E. Stiakakis, C. N. Likos, F. Sciortino, A. Munam, M. Gauthier, N. Hadjichristidis, H. Iatrou, P. Tartaglia, H. Löwen, and D. Vlassopoulos, Asymmetric caging in soft colloidal mixtures, Nature Materials 7, 780-784 (2008).

  1. K. Kegler, M. Konieczny, G. Dominguez-Espinosa, C. Gutsche, M. Salomo, F. Kremer, and C. N. Likos, Polyelectrolyte-compression forces between spherical DNA brushes, Physical Review Letters 100, 118302 (2008).

  1. S. van Teeffelen, C. N. Likos, and H. Löwen, Colloidal crystal growth at externally imposed nucleation clusters, Physical Review Letters 100, 108302 (2008).

  1. J. Fornleitner, F. Lo Verso, G. Kahl, and C. N. Likos, Genetic algorithms predict formation of exotic ordered phases for two-component dipolar monolayers, Soft Matter 4, 480-484 (2008).

  1. B. M. Mladek, G. Kahl, and C. N. Likos, Computer assembly of cluster-forming amphiphilic dendrimers, Physical Review Letters 100, 028301 (2008).

2007

  1. H. Oberhofer and C. Dellago, Large timestep fast-switching simulations with non-volume preserving integrators for free energy calculations, Israel Journal of Chemistry 47, 215 (2007).

  1. M. Grünwald, P. L. Geissler, and C. Dellago, An efficient transition path sampling algorithm for nanoparticles under pressure, Journal of Chemical Physics 127, 154718 (2007).

  1. W. Lechner and C. Dellago, On the efficiency of path sampling methods for the calculation of free energies from non-equilibrium simulations, Journal of Statistical Mechanics: Theory and Experiment, P04001 (2007).

  1. A. Tröster and C. Dellago, Coarse graining the Phi4 model: Landau-Ginzburg potentials from computer simulations, invited paper for the special edition in honour of V. Ginzburg's 90th birthday, Ferroelectrics 354, 225 (2007).

  1. Gernot J. Pauschenwein, Jean-Michel Caillol, Dominique Levesque, Jean-Jacques Weis, Elisabeth Schöll-Paschinger, and Gerhard Kahl, Liquid-vapor transition of systems with mean field universality class, Journal of Chemical Physics 126, 014501 (2007).

  1. W. Schranz, J. Koppensteiner, A. Tröster and R. Miletich, Finite strain Landau theory of high pressure phase transformations, Journal of Physics C: Condensed Matter 19, 275202 (2007).

  1. C. Dellago, Transition Path Sampling and the Calculation of Free Energies, Free energy calculations, Ed. C. Chipot and A. Pohorille, Springer (2007).

  1. C. Dellago and P. G. Bolhuis, Transition Path Sampling Simulations of Biological Systems, Topics in Current Chemistry 268, 291, (Ed. M. Reiher) Springer (2007). Erratum

  1. Y. Wang, S. Teitel, and C. Dellago, Effect of Surface on Shape Transformation of Gold Nanorods, Journal of Computational and Theoretical Nanoscience 4, 282 (2007).

  1. C. Marx, H. A. Posch and W. Thirring, Emergence of order in selection mutation dynamics, Phys. Rev. E 75, 061109 (2007).

  1. H. Narnhofer, H. A. Posch and W. Thirring, Emergence of order in quantum extensions of the classical quasispecies evolution, Phys. Rev. E 76, 041133 (2007).

  1. B. M. Mladek, D. Gottwald, G. Kahl, M. Neumann, and C. N. Likos, Clustering in the absence of attractions: density functional theory and computer simulations, Journal of Physical Chemistry B 111, 12799-12808 (2007).

  1. F. Lo Verso, C. N. Likos, and H. Löwen, Computer simulation of thermally sensitive telechelic star polymers, Journal of Physical Chemistry C 111, 15803-15810 (2007).

  1. N. Hoffmann, C. N. Likos, and H. Löwen, Correlation of two-dimensional super-paramagnetic colloids in tilted external magnetic fields, Molecular Physics 105, 1849-1860 (2007).

  1. A. J. Moreno and C. N. Likos, Diffusion and relaxation dynamics in cluster crystals, Physical Review Letters 99, 107801 (2007).

  1. C. N. Likos, B. M. Mladek, D. Gottwald, and G. Kahl, Why do ultrasoft repulsive particles cluster and crystallize? Analytical results from density functional theory, Journal of Chemical Physics 126, 224502 (2007).

  1. M. Konieczny and C. N. Likos, Fluid-fluid demixing transitions in colloid-polyelectrolyte star mixtures, Journal of Physics: Condensed Matter 19, 076105 (2007).

  1. C. Mayer, E. Stiakakis, E. Zaccarelli, C. N. Likos, F. Sciortino, H. Löwen, P. Tartaglia, and D. Vlassopoulos, Rheological transitions in asymmetric colloidal star mixtures, Rheologica Acta 46, 611 (2007).

  1. C. Mayer and C. N. Likos, A coarse-grained description of star-linear polymer mixtures, Macromolecules 40, 1196 (2007).

2006

  1. E. Schöll-Paschinger and C. Dellago, A proof of Jarzynski's non-equilibrium work theorem for dynamical systems that conserve the canonical distribution, Journal of Chemical Physics 125, 054105 (2006).

  1. E. Schöll-Paschinger and A. Reiner, Soft core thermodynamics from self-consistent hard core fluids, Journal of Chemical Physics 125, 164503 (2006).

  1. M. Grünwald, E. Rabani, and C. Dellago, Mechanisms of the wurtzite to rocksalt transformation in CdSe nanocrystals, Physical Review Letters 96, 255701 (2006). (also published in: Virtual Journal of Nanoscale Science & Technology, Vol. 14, Issue 2,  July 2006).

  1. J. Koppensteiner, A. Tröster and W. Schranz, Efficient parametrization of high-pressure elasticity, Physical Review B 74, 014111 (2006).

  1. C. Dellago, P. G. Bolhuis, and P. L. Geissler, Transition Path Sampling Methods, Lecture notes for the International School of Solid State Physics - 34th course: Computer Simulations in Condensed Matter: from Materials to Chemical Biology, Erice, Sicily, 20 July - 1 August 2005; Springer Lecture Notes in Physics (2006).

  1. W. Lechner, H. Oberhofer, C. Dellago, and P. L. Geissler, Equilibrium free energies from fast-switching simulations with larg time steps, Journal of Chemical Physics 124, 044113 (2006).

  1. W. Schranz, A. Tröster, J. Koppensteiner and R. Miletich, Thermodynamic theory of high pressure phase transformations, FERROICS (birthday edition in honour of E.K.H. Salje's 60th birthday), (2006).

  1. U. Omasits, M. Neumann, O. Steinhauser, R. Karch, H. Stockinger, R. Kobler, and W. Schreiner, Fourfold supervision for molecular dynamics simulations pf pMHC complexes, Biophys.J., (2006).

  1. R. Kobler, U. Omasits, M. Neumann, O. Stein­hauser, W. Schreiner, and J. Volkert, Computer simulation of T cell adaptive immune response utilizing the Austrian Grid infrastructure, Pro­ceedings of the 1st Austrian Grid Symposium, OCG, 2006.

  1. B. M. Mladek, D. Gottwald, G. Kahl, M. Neumann, and C. N. Likos, Formation of polymorphic cluster phases for purely repulsive soft spheres, Phys.Rev. Lett. 96, 045701 (2006).

  1. B. M. Mladek, G. Kahl, and M. Neumann, Thermo­dynamically self-consistent liquid state theories for systems with bounded potentials, J.Chem.Phys. 124, 064503 (2006).

  1. W. Schreiner, R. Karch, M. Neumann, F. Neu­mann, P. Szawlowski, and S. Rödler, Optimized arterial trees supplying hollow organs, Med.Eng.Phys. 28, 416 (2006).

  1. R. Karch, M. Neumann, F. Neumann, R. Ullrich, and W. Schreiner, A Gibbs point field model for the spatial pattern of coronary capillaries, Physica A 369, 599 (2006).

  1. H. A. Posch and W. Thirring, Thermodynamic instability of a confined gas, Phys. Rev. E 74, 051103 (2006).

  1. H. A. Posch and Wm. G. Hoover, Lyapunov instability of classical many-body systems, The Third 21COE Symposium: Astrophysics as Interdisciplinary Science, Journal of Physics: Conference Series 31, (2006); www.iop.org/EJ/toc/1742-6596/31/1

  1. Wm. G. Hoover, C. G. Hoover, H. A. Posch, and J. A. Codelli, The Second Law of thermodynamics and multifractal distribution functions: Bin counting, pair correlations, and the Kaplan-Yorke conjecture,  Communications in Nonlinear Science and Numerical Simulation 12, 214 - 231 (2007); available online since 7 April 2005.

  1. Lj. Milanovic, H. A. Posch, and W. Thirring, Gravitational collapse and ergodicity in confined gravitational systems, Journal of Statistical Physics (2006) DOI:10.1007/s10955- 006-9095-x .

  1. F. J. Vesely, Lennard-Jones sticks: A new model for linear molecules, Journal of Chemical Physics 125, 214106 (2006).

  1. F. Lo Verso. C. N. Likos, C. Mayer, and L. Reatto, Effects of attraction on the dynamical arrest of soft colloids, Molecular Physics 104, 3523 (2006).

  1. N. Hoffmann, C. N. Likos, and H. Löwen, Microphase structuring in two-dimensional magnetic colloid mixtures, Journal of Physics: Condensed Matter 18, 10193-10221 (2006).

  1. N. Hoffmann, F. Ebert, C. N. Likos, H. Löwen, and G. Maret, Partial clustering in binary two-dimensional colloidal suspensions, Physical Review Letters 97, 078301 (2006).

  1. S. van Teeffelen, C. N. Likos, N. Hoffmann, and H. Löwen, Density functional theory of freezing for soft interactions in two dimensions, Europhysics Letters 75, 583-589 (2006).

  1. M. Konieczny and C. N. Likos, Polyelectrolyte stars in planar confinement, Journal of Chemical Physics 124, 214904 (2006).

  1. F. Lo Verso, C. N. Likos, C. Mayer, and H. Löwen, Collapse of telechelic star polymers to watermelon structure, Physical Review Letters 96, 187802 (2006).

  1. F. Lo Verso, C. N. Likos, and L. Reatto, Star polymers with tunable attractions: cluster formation, phase separation, reentrant crystallization, Progress in Colloid and Polymer Science 133, 78-87 (2006).

  1. I. O. Götze, A. J. Archer, and C. N. Likos, Structure, phase behaviour and inhomogeneous fluid properties of binary dendrimer mixtures, Journal of Chemical Physics 124, 084901 (2006).

  1. M. Rex, C. N. Likos, J. Duzbiella, and H. Löwen, Ultrasoft colloids in cavities of oscillating size or sharpness, Molecular Physics 104, 527-540 (2006).

2005

  1. Elisabeth Schöll-Paschinger, Ana Laura Benavides, and Ramon Castaneda-Priego, Vapor liquid equilibrium and critical behavior of the square-well fluid of variable range: a theoretical study, Journal of Chemical Physics 123, 234513 (2005).

  1. Y. Wang, S. Teitel, and C. Dellago, Surface driven bulk reorganization of gold nanorods, NanoLetters 5, 2174 (2005).

  1. A. Tröster, C. Dellago, and W. Schranz, Free energies of the Phi4-model from Wang-Landau simulations, Physical Review B 72, 094103 (2005).

  1. A. Tröster and C. Dellago, Wang-Landau Sampling with Self-adaptive Range, Physical Review E 71, 066705 (2005).

  1. H. Oberhofer, C. Dellago, and P. L. Geissler, Biased sampling of non-equilibrium trajectories: Can fast switching simulations outperform conventional free energy calculation methods?, Journal of Physical Chemistry B 109, 6902 (2005).

  1. C. Dellago and M. M. Naor, Dipole moment of water molecules in narrow pores, Computer Physics Communications 169, 36 (2005).

  1. Y. Wang, S. Teitel and C. Dellago, Melting of icosahedral gold nanoclusters from molecular dynamics simulations, Journal of Chemical Physics 122, 214722 (2005).

  1. C. Dellago, Transition Path Sampling, Handbook of Materials Modeling, Ed. S. Yip, Springer (2005).

  1. B. A. Nadler, R. Karch, M. Neumann, F. Neumann, S. Aharinejad, and W. Schreiner, Error estimation of geometrical data obtained by histomorphometry of oblique vessel sections: a computer model study, Comput. Biol. Med. 35, 829-844 (2005).

  1. B. M. Mladek, M.-J. Fernaud, G. Kahl, and M. Neumann, On the thermodynamic proper­ties of the generalized Gaussian core model, Condensed Matter Physics, Vol. 8, No. 1(41), 135 (2005).

  1. R. Karch, F. Neumann, R. Ullrich, J. Neumüller, B.K. Podesser, M. Neumann, and W.Schreiner, The spatial pattern of coronary capillaries in patients with dilated, ischemic, or inflammatory cardiomyopathy, Cardiovasc.Pathol. 14, 135 (2005).

  1. H. A. Posch and W. Thirring, Stellar stability by thermodynamic instability, Physical Review Letters 95, 251101 (2005).

  1. Ch. Forster and H. A. Posch, Lyapunov modes in soft-disk fluids, New Journal of Physics 7, 32 (2005), arXive nlin.CD/0409019.

  1. J.-P. Eckmann, Ch. Forster, H. A. Posch, and E. Zabey, Lyapunov modes in hard-disk systems, Journal of Statistical Physics 118, 813-847 (2005).

  1. H. A. Posch and C. Forster, Lyapunov instability of fluids, p. 309-346, in "Collective Dynamics of Nonlinear and Disordered Systems", edited by G. Radons, W. Just, and P. Häussler, Springer Verlag, Berlin (2005).

  1. F. J. Vesely, Smectic phases in hard particle mixtures: Koda's theory, Molecular Physics 103, No. 5, 679 (2005).

  1. F. J. Vesely, Explaining Gibbsean phase space to second year students, European Journal of Physics 26, 243 (2005).

  1. E. Zaccarelli, C. Mayer, A. Asteriadi, C. N. Likos, F. Sciortino, J. Roovers, H. Iatrou, N. Hadjichristidis, P. Tartaglia, H. Löwen, and D. Vlassopoulos, Tailoring the flow of soft glasses by soft additives, Physical Review Letters 95, 268301 (2005).

  1. E. Stiakakis, G. Petekidis, D. Vlassopoulos, C. N. Likos, H. Iatrou, N. Hadjichristidis, and J. Roovers, Depletion and cluster formation in soft colloid-polymer mixtures, Europhysics Letters 72, 664-670 (2005).

  1. H. Löwen, R. Messina, N. Hoffmann, C. N. Likos, C. Eisenmann, P. Keim, U. Gasser, G. Maret, and T. Palberg, Colloidal layers in magnetic fields and under shear flow, Journal of Physics: Condensed Matter 17, S3379-S3386 (2005).

  1. C. N. Likos, C. Mayer, E. Stiakakis, and G. Petekidis, Clustering of soft colloids due to polymer additives, Journal of Physics: Condensed Matter 17, S3363-S3369 (2005).

  1. R. L. C. Vink, A. Jusufi, J. Dzubiella, and C. N. Likos, Bulk and interfacial properties in colloid-polymer mixtures, Physical Review E Rapid Communications 72, 030401(R) (2005).

  1. M. Rex, H. Löwen, and C. N. Likos, Soft colloids driven and sheared by traveling wave fields, Physical Review E 72, 021404 (2005).

  1. D. Gottwald, G. Kahl, and C. N. Likos, Predicting equilibrium structures in freezing processes, Journal of Chemical Physics 122, 204503 (2005).

  1. I. O. Götze and C. N. Likos, Microscopic and coarse-grained correlations of concentrated dendrimer solutions, Journal of Physics: Condensed Matter 17, S1777-S1797 (2005).

  1. V. A. Froltsov, C. N. Likos, H. Löwen, C. Eisenmann, U. Gasser, P. Keim, and G. Maret, Anisotropic mean-square displacements in two-dimensional colloidal crystals of titlted dipoles, Physical Review E 71, 031404 (2005).

  1. D. Gottwald, C. N. Likos, G. Kahl, and H. Löwen, Ionic microgels as model systems for colloids with an ultrasoft electrosteric repulsion: structure and thermodynamics, Journal of Chemical Physics 122, 074903 (2005).

  1. B. Loppinet, G. Fytas, D. Vlassopoulos, C. N. Likos, G. Meier, and G. Liu, Dynamics of dense suspensions of star-like micelles with responsive fixed cores, Macromolecular Chemistry and Physics 206, 163-172 (2005).

2004

  1. W. Zhuang and C. Dellago, Dissociation of hydrogen chloride and proton transfer in liquid glycerol: an ab initio molecular dynamics study, Journal of Physical Chemistry B 108, 19647 (2004).

  1. Y. Wang, S. Teitel, and C. Dellago, Melting and equilibrium shape of icosahedral gold nanoparticles, Chemical Physics Letters 394, 257 (2004).

  1. P. L. Geissler and C. Dellago, Equilibrium time correlation functions from irreversible transformations in trajectory space, Journal of Physical Chemistry B 108, 6667 (2004).

  1. C. Dellago and P. G. Bolhuis, Activation energies from transition path sampling simulations, Molecular Simulation 30, 795 (2004).

  1. M. Celli, F. Formisano, E. Guarini, R. Magli, M. Zoppi, U. Bafile, G. J. Cuello, and M. Neumann, The static structure factor of hydrogen in the liquid state, Physica B 350, e1067 (2004).

  1. D. Colognesi, M. Celli, M. Neumann, and M. Zoppi, Microscopic self dynamics in liquid hydrogen and in its mixtures with deuterium, Physical Review E 70, 061202 (2004).

  1. Ch. Forster, D. Mukamel, and H. A. Posch, Hard disks in narrow channels, Physical Review E 69, 066124 (2004).

  1. Ch. Forster, R. Hirschl, H. A. Posch, and Wm. G. Hoover, Perturbed phase-space dynamics of hard-disk fluids, Physica D, 187, 294 (2004).

  1. H. A. Posch and Wm. G. Hoover, Large-system phase-space dimensionality loss in stationary heat flows, Physica D 187, 281 (2004).

  1. F. J. Vesely, Billiards in class, entropy after hours: Statistical physics for sophomores, Proceedings, Multimedia in Physics Teaching and Learning (MPTL9), Graz, September 9-11, 2004. Proceedings website: physik.uni-graz.at/MPTL9/.

  1. M. Konieczny, C. N. Likos, and H. Löwen, Soft effective interactions between weakly charged polyelectrolyte chains, Journal of Chemical Physics 121, 4913-4924 (2004).

  1. A. Jusufi, C. N. Likos, and M. Ballauff, Counterion distributions and effective interactions of spherical polyelectrolyte brushes, Colloid and Polymer Science 282, 910-917 (2004).

  1. V. A. Froltsov, C. N. Likos, and H. Löwen, Colloids in inhomogeneous external magnetic fields: particle tweezing, trapping and void formation, Journal of Physics: Condensed Matter 16, S4103-S4114 (2004).

  1. N. Hoffmann, C. N. Likos, and H. Löwen, Structure and phase behaviour of polyelectrolyte star solutions, Journal of Chemical Physics 121, 7009-7021 (2004).

  1. C. Mayer, C. N. Likos, and H. Löwen, Equilibrium properties of highly asymmetric star polymer mixtures, Physical Review E 709, 041402 (2004).

  1. I. O. Götze, H. M. Harreis, and C. N. Likos, Tunable effective interactions between dendritic macromolecules, Journal of Chemical Physics 120, 7761-7771 (2004).

  1. D. Gottwald, C. N. Likos, G. Kahl, and H. Löwen, Phase behaviour of ionic microgels, Physical Review Letters 92, 068301 (2004).

  1. E. Zaccarelli, H. Löwen, P. P. F. Wessels, F. Sciortino, P. Tartaglia, and C. N. Likos, Is there a reentrant glass in binary mixtures?, Physical Review Letters 92, 225703 (2004).

  1. N. Hoffmann, C. N. Likos, and J.-P. Hansen, Linear screening of the electrostatic potential around spherical particles with non-spherical charge patterns, Molecular Physics 102, 857-868 (2004).

  1. A. J. Archer, C. N. Likos, and R. Evans, Soft core binary fluid exhibiting a Lambda-line and freezing to a highly delocalized crystal, Journal of Physics: Condensed Matter 16, L297-L303 (2004).

2003

  1. C. Dellago and S. Mukamel, Simulation algorithms for multidimensional nonlinear response of classical many-body systems, Journal of Chemical Physics 119, 9344 (2003).

  1. Y. Wang and C. Dellago, Structural and Morphological Transitions in Gold Nanorods: a Computer Simulation Study, Journal of Physical Chemistry B 107, 9214 (2003).

  1. C. Dellago and P. L. Geissler, Monte Carlo sampling in path space: Calculating time correlation functions by transforming ensembles of trajectories, Proceedings of "The Monte Carlo Method in the Physical Sciences: Celebrating the 50th anniversary of the Metropolis algorithm", AIP Conference Proceedings, vol. 690 (2003).

  1. C. Dellago and S. Mukamel, Nonlinear Response of Classical Dynamical Systems to Short Pulses, Bulletin of the Korean Chemical Society 24, 1107 (2003).

  1. C. Dellago and S. Mukamel, Simulation strategies and signatures of chaos in classical nonlinear response, Physical Review E 67, 035205 (2003).

  1. C. Dellago, M. Naor, and G. Hummer, Proton transport through water-filled carbon nanotubes, Physical Review Letters 90, 105902 (2003).

  1. M. Naor, K. Van Nostrand, and C. Dellago, Car-Parrinello molecular dynamics simulation of the calcium ion in liquid water, Chemical Physics Letters 369, 159 (2003).

  1. Ch. Forster, R. Hirschl, and H. A. Posch, Analysis of Lyapunov modes for hard-disk fluids, Proceedings for the Math.-Physics conference, Lissabon, July 2003.

  1. W. Thirring, H. Narnhofer and H. A. Posch, Negative specific heat, the thermodynamic limit, and ergodicity, Physical Review Letter 91, 130601 (2003.)

  1. H. M. Harreis, C. N. Likos, and M. Ballauff, Can dendrimers be viewed as compact colloids? A simulation study of the fluctuations in a dendrimer of fourth generation, Journal of Chemical Physics 118, 1979-1988 (2003).

  1. C. N. Likos, N. Hoffmann, A. Jusufi, and H. Löwen, Interactions and phase behaviour of polyelectrolyte star solutions, Journal of Physics: Condensed Matter 15, S233-S238 (2003).

  1. J. Dzubiella and C. N. Likos, Mean-field dynamical density functional theory, Journal of Physics: Condensed Matter 15, L147-L154 (2003).

  1. H. Löwen, E. Allahyarov, C. N. Likos, R. Blaak, J. Dzubiella, A. Jusufi, N. Hoffmann, and H. M. Harreis, Charged colloids, polyelectrolytes and biomolecules viewed as strongly coupled Coulomb systems, Journal of Physics A: Mathematical and General 36, 5827-5834 (2003).

  1. H. M. Harreis, C. N. Likos, and H. Löwen, Azimuthal frustration and bundling in columnar DNA aggregates, Biophysical Journal 84, 3607-3623 (2003).

  1. G. Foffi, F. Sciortino, P. Tartaglia, E. Zaccarelli, F. Lo Verso, L. Reatto, K. Dawson, and C. N. Likos, Structural arrest in dense star polymer solutions, Physical Review Letters 90, 238301 (2003).

  1. I. O. Götze and C. N. Likos, Conformations of flexible dendrimers: a simulation study, Macromolecules 36, 8189-8197 (2003).

  1. J. Dzubiella, H. Löwen, and C. N. Likos, Depletion forces in non-equilibrium, Physical Review Letters 91, 248301 (2003).

  1. V. A. Froltsov, R. Blaak, C. N. Likos, and H. Löwen, Crystal structures of two-dimensional magnetic colloids in tilted external magnetic fields, Physical Review E 68, 061406 (2003).

2002

  1. C. Dellago, P. L. Geissler, D. Chandler, J. Hutter, and M. Parrinello, Comment on Dissociation of Water under Pressure, Physical Review Letters 89, 199601 (2002).

  1. C. Dellago and D. Chandler, Bridging the time scale gap with transition path sampling, in Molecular Simulation for the Next Decade, ed. by P. Nielaba, M. Mareschal, and G. Ciccotti, Springer, Berlin (2002).

  1. C. Dellago, P. G. Bolhuis and P. L. Geissler, Transition path sampling, Advances in Chemical Physics 123, 1 (2002).

  1. P. G. Bolhuis, D. Chandler, C. Dellago and P. L. Geissler, Transition path sampling: throwing ropes over mountain passes in the dark, Annual Review in Physical Chemistry 53, 291 (2002).

  1. W. G. Hoover, H. A. Posch, C. Forster, C. Dellago, and M. Zhou, Lyapunov modes of  two-dimensional many-body systems; soft disks, hard disks, and rotors, Journal of Statistical Physics 109, 765 (2002).

  1. W. G. Hoover, H. A. Posch, K. Aoki, and D. Kusnezov, Remarks on non-Hamiltonian statistical mechanics: Lyapunov exponents and phase-space dimensionality loss, Europhysics Letters 60, 337 - 341 (2002);
    arXive nlin.CD/0205040.

  1. H. A. Posch and Ch. Forster, Lyapunov instability and collective tangent space dynamics of fluids, Lecture Notes on Computer Science 2331, Computational Science - ICCS 2002}, vol. 3, p.1170, edited by P. M. A. Sloot, C. J. K. Tan, J. J. Dongarra, and A. G. Hoekstra, Springer, Berlin, 2002; arXive nlin.CD/0210054.

  1. L. J. Milanovic and H. A. Posch, Localized and delocalized modes in the tangent-space dynamics of planar hard dumbbell fluids, Journal of Molecular Liquids 96-97, 221 - 244 (2002).

  1. H.A. Posch and W. Thirring, The classical three-body problem -- where is abstract mathematics, physical intuition, computational physics most powerful?, p. 289 - 305 of Mathematical Physics 2000, edited by A. Fokas, A. Grigoryan, T. Kibble, and B. Zegarlinski, Imperial College Press, 2000. Also in Highlights of Mathematics in Physics, edited by A. Fokas, J. Halliwell, T. Kibble, and B. Zegarlinski, American Mathematical Society, 2002.

  1. A. Jusufi, C. N. Likos, and H. Löwen, Conformations and interactions of star-branched polyelectrolytes, Physical Review Letters 88, 018301 (2002).

  1. J. Dzubiella, C. N. Likos, and H. Löwen, Star-polymers as depleting agents of colloidal hard spheres, Europhysics Letters 58, 133-139 (2002).

  1. J. Dzubiella, C. N. Likos, and H. Löwen, Phase behaviour and structure of star-polymer-colloid mixtures, Journal of Chemical Physics 116, 9518-9530 (2002).

  1. A. Jusufi, C. N. Likos, and H. Löwen, Counterion-induced entropic interactions in solutions of strongly stretched, osmotic polyelectrolyte stars, Journal of Chemical Physics 116, 11011-11027 (2002).

  1. H. M. Harreis, A. A. Kornyshev, C. N. Likos, H. Löwen, and G. Sutmann, Phase behaviour of columnar DNA assemblies, Physical Review Letters 89, 018303 (2002).

  1. C. N. Likos, S. Rosenfeldt, N. Dingenouts, M. Ballauff, P. Lindner, N. Werner, and F. Vögtle, Gaussian effective interaction between flexible dendrimers of fourth generation: a theoretical and experimental study, Journal of Chemical Physics 117, 1869-1877 (2002).

  1. C. N. Likos, N. Hoffmann, H. Löwen, and A. A. Louis, Exotic fluids and crystals of soft polymeric colloids, Journal of Physics: Condensed Matter 14, 7681-7698 (2002).

  1. S. Rosenfeldt, N. Dingenouts, M. Ballauff, P. Lindner, C. N. Likos, N. Werner, and F. Vögtle, Determination of the structure factor of polymeric systems in solution by small-angle scattering: a SANS-study of a dendrimer of fourth generation, Macromolecular Chemistry and Physics 203, 1995-2004 (2002).

  1. E. Stiakakis, D. Vlassopoulos, C. N. Likos, J. Roovers, and G. Meier, Polymer-mediated melting in ultrasoft colloidal gels, Physical Review Letters 89, 208302 (2002).

  1. A. J. Archer, C. N. Likos, and R. Evans, Binary star-polymer solutions: bulk and interfacial properties, Journal of Physics: Condensed Matter 14, 12031-12050 (2002).

2001

  1. D. Laria, J. Rodriguez, C. Dellago, and D. Chandler, Dynamical aspects of isomerization and melting transitions in [H2O]8, Journal of Physical Chemistry A 105, 2646 (2001).

  1. P. L. Geissler, C. Dellago, D. Chandler, J. Hutter, and M. Parrinello, Autoionization in liquid water, Science 291, 2121 (2001).  Supplementary Web Material.

  1. C. Dellago, Henk v. Beijeren, Debabrata Panja, and J. R. Dorfman, Field dependent collision rate of the driven random Lorentz gas, Physical Review E 64, 036217 (2001).

  1. Wm. G. Hoover, C.G. Hoover, and H.A. Posch, Dynamical instabilities, manifolds, and local Lyapunov spectra far from equilibrium, Computational Methods in Science and Technology 7, 55, (2001).

  1. Wm. G. Hoover, C.G. Hoover, and H.A. Posch, Doubly-thermostated canonical harmonic oscillator: singularities, local Lyapunov instability spectrum, ergodicity, reversibility, unpublished

  1. Wm. G. Hoover, H.A. Posch, and C.G. Hoover, Fluctuations and asymmetry via local Lyapunov instability in the time-reversible doubly-thermostated harmonic oscillator, Journal of Chemical Physics 115, 5744 - 5750 (2001).

  1. C. N. Likos, A. Lang, M. Watzlawek, and H. Löwen, Criterion for determining clustering versus reentrant melting behaviour for bounded interaction potentials, Physical Review E 63, 031206 (2001).

  1. C. N. Likos, M. Schmidt, H. Löwen, M. Ballauff, D. Pötschke, and P. Lindner, Soft interaction between dissolved flexible dendrimers: theory and experiment, Macromolecules 34, 2914-2920 (2001).

  1. J. Dzubiella, H. M. Harreis, C. N. Likos, and H. Löwen, Sedimentation profiles of systems with reentrant melting behaviour, Physical Review E 64, 011405 (2001).

  1. J. Dzubiella, A. Jusufi, C. N. Likos, C. von Ferber, H. Löwen, J. Stellbrink, J. Allgaier, D. Richter, A. B. Schofield, P. A. Smith, W. C. K. Poon, and P. N. Pusey, Phase separation in star polymer-colloid mixtures, Physical Review E 64, 010401(R) (2001).

  1. A. Jusufi, J. Dzubiella, C. N. Likos, C. von Ferber, and H. Löwen, Effective interactions between star polymers and colloidal particles, Journal of Physics: Condensed Matter 13, 6177-6194 (2001).

  1. C. von Ferber, Y. Holovatch, A. Jusufi, C. N. Likos, H. Löwen, and M. Watzlawek, Colloids with polymer stars: the interaction, Journal of Molecular Liquids 93, 151-154 (2001).
University of Vienna | Universitätsring 1 | 1010 Vienna | T +43-1-4277-0