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2000

  1. R. Klages and C. Dellago, Density-dependent Diffusion in the Lorentz Gas, Journal of Statistical Physics 101, 145 (2000).

  1. T. J. H. Vlugt, C. Dellago, and B. Smit, Diffusion of Isobutane in Silicalite studied by Transition Path Sampling, Journal of Chemical Physics 113, 8791 (2000).

  1. C. Dellago and W. G. Hoover, Finite-Precision Stationary States At, and Away from, Equilibrium, Physical Review E 62, 6275 (2000).

  1. P. L. Geissler, T. van Voorhis, and C. Dellago, Potential energy landscape for proton transfer in (H2O)3H+: Comparison of density functional theory and wavefunction based methods, Chemical Physics Letters 324, 149 (2000).

  1. P. G. Bolhuis, C. Dellago, P. L. Geissler, and D. Chandler, Transition path sampling: throwing ropes over mountains in the dark, Journal of Physics: Condensed Matter 12, A147 (2000).

  1. P. G. Bolhuis, C. Dellago and D. Chandler, Reaction Coordinates of Biomolecular Isomerization, Proceedings of the National Academy of Sciences of the USA 97, 5877 (2000).

  1. P. L. Geissler, C. Dellago, D. Chandler, J. Hutter, and M. Parrinello, Ab initio analysis of proton transfer dynamics in (H2O)3H+, Chemical Physics Letters 321, 225 (2000).

  1. C. Dellago and W.G. Hoover, Are Lyapunov Exponents Continuous in Phase Space?, Physics Letters A 268, 330 (2000). Erratum

  1. R. Karch, F. Neumann, M. Neumann, and W. Schreiner, Staged growth of optimized arterial model trees, Annals of Biomedical Engineering 28, 495 (2000). 

  1. S. Nugent and H. A. Posch, Simulation of two-dimensional drops with smooth particle applied mechanics, Phys. Rev. E 62, 4968 (2000).

  1. H. A. Posch and W. Thirring, Some aspects of the classical three-body problem that are close or foreign to physical intuition, Journal of Mathematical Physics 41, 3430 - 3447 (2000).

  1. H. A. Posch and R. Hirschl, Simulation of blliards and of hard-body fluids", pages 269 - 310 in Hard Ball Systems and the Lorenz Gas, edited by D. Szasz, Encyclopedia of the mathematical sciences 101, Springer Verlag, Berlin (2000).

  1. Wm. G. Hoover, H. A. Posch, V. M. Castillo, and C. G. Hoover, Computer simulation of irreversible expansions via molecular dynamics, smooth paticle applied mechanics, Eulerian, and Lagrangian continuum mechanics, J. Statist. Physics 100, 313 - 326, (2000).

  1. H. A. Posch, R. Hirschl, and Wm. G. Hoover, Multifractal phase-space distributions for stationary nonequilibrium systems, in Dynamics: Models and Kinetic Methods for Nonequilibrium Many-Body Systems, J. Karkheck, ed., NATO ASI Series E: Applied Sciences - Vol. 371, p. 169 - 189 (Kluwer, Dordrecht, 2000).

  1. F. J. Vesely and R. Lukac, How to simulate anchoring: confining the director, Molecular Crystal Liquid Crystal 351, 667 (2000).

  1. F. J. Vesely and R. Lukac, How to simulate anchoring: confining the director, Molecular Crystals Liquid Crystals 352, 667 (2000). (Proceedings of the 5th European Conference on Liquid Crystals 99, Hersonissos/Crete, April 25-30, 1999.)

  1. H. Löwen, M. Watzlawek, C. N. Likos, M. Schmidt, A. Jusufi, and A. R. Denton, Phase transitions in colloidal suspensions and star polymer solutions, Journal of Physics: Condensed Matter 12, A465-A469 (2000).

  1. C. N. Likos, K. A. Vaynberg, H. Löwen, and N. J. Wagner, Colloidal stabilization by adsorbed gelatin, Langmuir 16, 4100-4108 (2000).

  1. A. Lang, C. N. Likos, M. Watzlawek, and H. Löwen, Fluid and solid phases of the Gaussian core model, Journal of Physics: Condensed Matter 12, 5087-5108 (2000).

  1. C. von Ferber, A. Jusufi, C. N. Likos, H. Löwen, and M. Watzlawek, Triplet interactions in star polymer solutions, European Physical Journal E 2, 311-318 (2000).

  1. C. von Ferber, A. Jusufi, M. Watzlawek, C. N. Likos, and H. Löwen, Polydisperse star polymer solutions, Physical Review E 62, 6949-6956 (2000).

1999

  1. P. L. Geissler, C. Dellago, and D. Chandler, Chemical dynamics of the protonated water cluster, Physical Chemistry Chemical Physics 1, 1317 (1999).

  1. C. Dellago, P. G. Bolhuis and D. Chandler, On the calculation of rate constants in the transition path ensemble, Journal of Chemical Physics 110, 6617 (1999).

  1. P. L. Geissler, C. Dellago, and D. Chandler, Kinetic Pathways of Ion Dissociation in Water, Journal of Physical Chemistry B 103, 3706 (1999).

  1. A.Torcini, C. Dellago and H. A. Posch, Comment on: Lyapunov Exponent of a Many Body System and Its Transport Coeffcients, Physical Review Letters 83, 2676 (1999).

  1. W. Schreiner , R. Karch , M. Neumann , F. Neumann , P. Szawlowski, and S. Roedler, Optimized arterial trees supplying hollow organs, Medical Engineering & Physics 28, 416 (1999).

  1. R. Karch, F. Neumann, M. Neumann, and W. Schreiner, A three-dimensional model for arterial tree representation, generated by constrained constructive optimization, Computers in Biology and Medicine 29, 19 (1999).

  1. Wm. G. Hoover and H. A Posch, Entropy increase in confined free expansions via molecular dynamics and smooth particle applied mechanics, Physical Review E 59, 1770 - 1776 (1999).

  1. M. Watzlawek, C. N. Likos, and H. Löwen, Phase diagram of star polymer solutions, Physical Review Letters 82, 5289-5292 (1999).

  1. A. Lang, G. Kahl, C. N. Likos, H. Löwen, and M. Watzlawek, Structure and thermodynamics of square-well and square-shoulder fluids, Journal of Physics: Condensed Matter 11, 10143-10161 (1999).

1998

  1. P. G. Bolhuis, C. Dellago and D. Chandler, Sampling ensembles of deterministic transition pathways, Faraday Discussion 110, 421 (1998).

  1. C. Dellago, P. G. Bolhuis, and D. Chandler, Effcient Transition Path Sampling: Applications to Lennard-Jones cluster rearrangements, Journal of Chemical Physics 108, 9236 (1998).

  1. R. van Zon, H. van Beijeren, and C. Dellago, Largest Lyapunov Exponent for Many Particle Systems at Low Densities, Physical Review Letters 80, 2035 (1998).

  1. C. Dellago, P. G. Bolhuis, F. S. Csajka, and D. Chandler, Transition Path Sampling and the Calculation of Rate Constants, Journal of Chemical Physics 108, 1964 (1998).

  1. C. Dellago, W. G. Hoover, and H. A. Posch, Isomorphic Multifractal Shear Flows for Hard Disks via Isokinetic and Adiabatic Nonequilibrium Molecular Dynamics, Physical Review E 57, 4969 (1998).

  1. G. Hummer, N. Grønbech-Jensen, and M. Neumann, Pressure calculation in polar and charged systems using Ewald summation: Results for the extended simple point charge model of water, Journal of Chemical Physics 109, 2791 (1998).

  1. H. A. Posch and Wm. G. Hoover, Heat conduction in one-dimensional chains and nonequilibrium Lyapunov spectrum, Physical Review E 58, 4344 - 4350 (1998).

  1. W. G. Hoover, D. J. Evans, H. A. Posch, B. L. Holian, and G. P Morriss, Comment on: Toward a Statistical Thermodynamics of Steady States, Physical Review Letter 80, 4103 - 4106 (1998).

  1. Lj. Milanovic, H. A. Posch, and Wm. G. Hoover, What is `Liquid'? Understanding the States of Matter, Molecular Physics 95, 281 - 287 (1998).

  1. Wm. G. Hoover and H. A. Posch, Multifractals from stochastic many-body molecular dynamics, Physical Letters A 246, 247 - 251 (1998).

  1. Lj. Milanovic, H. A. Posch, and Wm. G. Hoover, Lyapunov instability of two-dimensional fluids: hard dumbbells, Chaos 8, 455 - 461 (1998).

  1. Wm. G. Hoover and H. A. Posch, Chaos and irreversibility in simple model systems, Chaos 8, 366 - 373 (1998).

  1. Wm. G. Hoover, K. Boercker, and H. A. Posch, Large-system hydrodynamic limit for color conductivity in two dimensio, Physical Review E 57, 3911 - 3916 (1998).

  1. Lj. Milanovic, H. A. Posch, and W. Thirring, Statistical mechanics and computer simulation of systems with attractive positive powerlaw potentials, Physical Review E 57, 2763 - 2775 (1998).

  1. D. J. Evans, D. J. Searles, Wm. G. Hoover, C. G. Hoover, B. L. Holian, H. A. Posch, and G. P. Morriss, Comment on: Modified nonequilibrium molecular dynamics for fluid flows with energy conservation [J. Chem. Phys. 106, 5615 (1997)], Journal of Chemical Physics 108, 4351 (1998).

  1. C. N. Likos, H. Löwen, M. Watzlawek, B. Abbas, O. Jucknischke, J. Allgaier, and D. Richter, Star polymers viewed as ultrasoft colloidal particles, Physical Review Letters 80, 4450-4453 (1998).

  1. C. N. Likos, M. Watzlawek, and H. Löwen, Freezing and clustering transitions for penetrable spheres, Physical Review E 58, 3135-3144 (1998).

  1. M. Watzlawek, H. Löwen, and C. N. Likos, The anomalous structure factor of dense star polymer solutions, Journal of Physics: Condensed Matter 10, 8189-8205 (1998).

  1. C. N. Likos, H. Löwen, A. Poppe, L. Willner, J. Roovers, B. Cubitt, and D. Richter, Ordering phenomena of star polymer solutions approaching the Theta-state, Physical Review E 58, 6299-6307 (1998).

1997

  1. H. van Beijeren, J. R. Dorfman, H. A. Posch, and C. Dellago, The Kolmogorov-Sinai Entropy for Dilute Gases in Equilibrium, Physical Review E 56, 5272 (1997).

  1. C. Dellago and H. A. Posch, Mixing, Lyapunov instability, and the approach to equilibrium in a hard-sphere gas, Physical Review E 55, R9 (1997).

  1. C. Dellago and H. A. Posch, Kolmogorov-Sinai entropy and Lyapunov spectra of a hard sphere gas, Physica A 240, 68 (1997).

  1. C. Dellago and H. A. Posch, Lyapunov instability of the boundary driven Chernov-Lebowitz model for stationary shear flow, Journal of Statistical Physics 88, 825 (1997).

  1. W. Schreiner, F. Neumann, R. Karch, M. Neumann, A. End, and S. M. Rödler, Geometrical and topological optimization and their relation to the bifurcation laws in optimized arterial tree models, in S. Hernández and C. A. Brebbia (eds.), Computer Aided Optimum Design of Structures V, Computational Mechanics Publications, Southampton (1997).

  1. M. Neumann, F. Neumann, R. Karch, and W. Schreiner, Size and discretization effects in simulations of coronary hemodynamics, in H. Power, C. A. Brebbia, and J. Kenny (eds.), Simulations in Biomedicine IV, Computational Mechanics Publications, Southampton (1997).

  1. R. Karch, W. Schreiner, M. Neumann, and F. Neumann, Three-dimensional optimization of arterial tree models, in H. Power, C. A. Brebbia, and J. Kenny (eds.), Simulations in Biomedicine IV, Computational Mechanics Publications, Southampton (1997).

  1. F. Neumann, W. Schreiner, R. Karch, and M. Neumann, Structure of computer-generated arterial trees with different optimization target functions, in H. Power, C. A. Brebbia, and J. Kenny (eds.), Simulations in Biomedicine IV, Computational Mechanics Publications, Southampton (1997).

  1. W. Schreiner, F. Neumann, M. Neumann, and R. Karch, Local symmetry and global structure of coronary arterial tree models generated by constrained constructive optimization, in H. Power, C. A. Brebbia, and J. Kenny (eds.), Simulations in Biomedicine IV, Computational Mechanics Publications, Southampton (1997).  

  1. W. Schreiner, F. Neumann, M. Neumann, R. Karch, A. End, and S. M. Rödler, Limited bifurcation asymmetry in coronary arterial tree models generated by constrained constructive optimization, Journal of General Physiology 109, 129 (1997).

  1. F. Neumann, W. Schreiner, and M. Neumann, "Computer simulation of coronary arterial trees", Adv. Eng. Software 28, 353 (1997).

  1. W. Schreiner, F. Neumann, M. Neumann, A. End, and S. M. Rödler, Anatomical variability and functional ability of vascular trees modeled by constrained constructive optimization, Journal of Theoretical Biology 187, 147 (1997).

  1. H. A. Posch and W. G. Hoover, Time-reversible dissipative attractors in three and four phase-space dimensions, Physical Review E 55, 6803 - 6810 (1997).

  1. H. A. Posch and W. G. Hoover, Simulation of two-dimensional Kolmogorov flow with smooth particle applied mechanics, Physica A 240, 286 - 296 (1997).

  1. C. N. Likos, S. Moroni, and G. Senatore, Density-functional theory of freezing of quantum liquids at zero temperature using exact liquid-state linear response, Physical Review B 55, 8867-8880 (1997).

1996

  1. H. van Beijeren, J. R. Dorfman, E. G. D. Cohen, H. A. Posch, and C. Dellago, Lyapunov Exponents from Kinetic Theory for a Dilute, Field-driven Lorentz Gas, Physical Review Letters 77, 1974 (1996).

  1. W. G. Hoover, H. A. Posch, C. Dellago, O. Kum, C. G. Hoover, A. J. De Groot, and B. L. Holian, Thermomechanical Particle Simulation, in Proceedings of the International Conference on Nonlinear Dynamics, Chaotic and Complex Systems, 7-12 November 1995, Zakopane, Cambridge University Press (1996).

  1. H. A. Posch, C. Dellago, W. G. Hoover, and O. Kum, Microscopic Time-Reversibility and Macroscopic Irreversibility - Still a Paradox?" in Modern Atomistic and Organic Structural Chemistry: Josef Loschmidt’s Pioneering Contributions and their Sequel, edited by T. Schönfeld and W. Fleischhacker, Plenum, New York (1996).

  1. C. Dellago, H. A. Posch and W. G. Hoover, Lyapunov instability in a system of hard disks in equilibrium and nonequilibrium steady states, Physical Review E 53, 1485 (1996).

  1. F. Neumann, M. Neumann, R. Karch, and W. Schreiner, Visualization of computer-generated arterial model trees, in M. Cerrolaza, D. Jugo, and C. A. Brebbia (eds.), Simulation Modelling in Bioengineering, Computational Mechanics Publications, Southampton (1996).

  1. M. Neumann, F. Neumann, R. Karch, and W. Schreiner, Spatially resolved simulation of coronary hemodynamics, in M. Cerrolaza, D. Jugo, and C. A. Brebbia (eds.), Simulation Modelling in Bioengineering, Computational Mechanics Publications, Southampton (1996).

  1. W. Schreiner, F. Neumann, M. Neumann, A. End, and M. R. Müller, "Structural quantification and bifurcation symmetry in arterial tree models generated by constrained constructive optimization", Journal of  Theoretical Biology 180, 161 (1996).

  1. W. G. Hoover and H. A. Posch, Numerical heat conductivity in smooth particle applied mechanics, Physical Review E 54, 5142 - 5145 (1996).

  1. W. G. Hoover, C. G. Hoover, O. Kum, V. M. Castillo, H. A. Posch, and S. Hess, Smooth Particle Applied Mechanics, Computational Methods in Science and Technology 2, 65 - 72 (1996).

  1. W. G. Hoover, O. Kum, and H. A. Posch, Time-reversible dissipative ergodic maps, Physical Review E 53, 2123 - 2129 (1996).

  1. I. Borzsak, A. Baranyai, and H. A. Posch, Correlation regimes in systems of soft spherical particles studied by their Lyapunov exponents, Physica A 229, 93-108 (1996).

  1. D. K. Ivanov, H. A. Posch, and Ch. Stumpf, Statistical measures derived from the correlation integrals of physiological time series, Chaos 6, 243 - 253 (1996).

  1. I. Borzsak, H. A. Posch, and A. Baranyai, Lyapunov instability of fluids composed of rigid diatomic molecules, Physical Review E 53, 3694 (1996).

  1. Th. Kastenmeier and F. J. Vesely, Numerical robot kinematics based on stochastic and molecular simulation methods, Robotica 14, 329-337 (1996).

  1. Th. Kastenmeier and F. J. Vesely, A New Algorithm for Numerical Robot Kinematics, 5th International Workshop on ROBOTICS IN THE ALPE-ADRIA-DANUBE REGION, Budapest, June 10-13, 1996. In: Proceedings (refereed), 1996.

  1. C. N. Likos and A. Maritan, Multi-interaction mean-field renormalization group, Physical Review E 53, 3303-3314 (1996).

  1. Z. T. Németh, C. N. Likos, and H. Löwen, Density functional study of solid-to-solid isostructural transitions in colloidal crystals, Magyar Kemiai Folyoirat 102, 515-522 (1996).

1995

  1. C. Dellago, L. Glatz, and H. A. Posch, Lyapunov spectrum of the driven Lorentz gas, Physical Review E 52, 4817 (1995).

  1. C. Dellago and H. A. Posch, Lyapunov exponents of systems with elastic hard collisions, Physical Review E 52, 2401 (1995).

  1. F. Neumann, W. Schreiner, and M. Neumann, Constrained constructive optimization of binary branching arterial tree models, in S. Hernández, M. El-Sayed, and C. A. Brebbia (eds.), Structural Optimization, Computational Mechanics Publications, Southampton (1995).

  1. W. Schreiner, F. Neumann, and M. Neumann, Modeling of vascular trees in computer simulation studies of the coronary arterial system, in H. Power and R. T. Hart (eds.), Computer Simulations in Biomedicine, Computational Mechanics Publications, Southampton (1995).

  1. M. Neumann, Computer simulation of water and the dielectric equation of state, in H. J. White, Jr., J. V. Sengers, D. B. Neumann, and J. C. Bellows (eds.), Physical Chemistry of Aqueous Systems: Meeting the Needs of Industry, Begell House, New York (1995).

  1. O. Kum, W. G. Hoover, and H. A. Posch, Viscous conducting flows with smooth particle applied mechanics, Phys. Rev. E 52, 4899 - 4908 (1995).

  1. H. A. Posch, W. G. Hoover and O. Kum, Steady-state shear flows via nonequilibrium molecular dynamics and smooth particle applied mechanics, Phys. Rev. E 52, 1711 - 1720 (1995).

  1. W. G. Hoover and H. A. Posch, Large-system hydrodynamic limit, Molecular Physical Report 10, 70 - 85 (1995).

  1. W. G. Hoover and H. A. Posch, Shear viscosity via global control of spatio-temporal chaos in two-dimensional isoenergetic dense fluids, Physical Review E 51, 273 - 279 (1995).

  1. C. N. Likos, K. R. Mecke, and H. Wagner, Statistical morphology of random interfaces in microemulsions, Journal of Chemical Physics 102, 9350-9361 (1995).

  1. C. N. Likos and G. Senatore, Nonperturbative density functional theory of solid-to-solid isostructural transitions, Journal of Physics: Condensed Matter 7, 6797-6808 (1995).

  1. Z. T. Németh and C. N. Likos, Density-functional theory of solid-to-solid isostructural transitions: the case of attractive Yukawa potentials, Journal of Physics: Condensed Matter 7, L537-L543 (1995).

  1. C. N. Likos, Z. T. Németh, and H. Löwen, Reply to comment on 'density-functional theory of solid-to-solid isostructural transitions', Journal of Physics: Condensed Matter 7, 8215-8217 (1995).

  1. C. N. Likos and N. W. Ashcroft, Comment on 'ability of nonperturbative density-functional theories to stabilize arbitrary solids', Physical Review E 52, 5714-5715 (1995).

1994

  1. W. G. Hoover and H. A. Posch, Second-Law irreversibility, and phase-space dimensionality loss, from time-reversible nonequilibrium steady-state Lyapunov spectra, Physical Review E 49, 1913 - 1920 (1994).

  1. C. N. Likos, Z. T. Németh, and H. Löwen, Density-functional theory of solid-to-solid isostructural transitions, Journal of Physics: Condensed Matter 6, 10965-10975 (1994).

1993

  1. W. Thirring and H. A. Posch, Unpredictability of symmetry breaking in a phase transition, Physical Review E 48, 4333 - 4339 (1993).

  1. B. L. Holian, H. A. Posch, and W. G. Hoover, Free energy via thermostatted dynamic potential energy changes, Physical Review E 47, 3852 - 3861 (1993).

  1. W. G. Hoover, H. A. Posch, and L. W. Campbell, Thermal heat reservoirs via Gauss' principle of least constraint; dissipation, chaos, and phase-space dimensionality loss in one-dimensional chains, Chaos 3, 325 - 332 (1993).

  1. H. A. Posch, H. Narnhofer, and W. Thirring, "Condensation phenomena in thermodynamically unstable systems", Physica A 194, 482 - 493 (1993).

  1. W. G. Hoover, B. L. Holian, and H. A. Posch, Comment I on Possible experiments to check the reality of a nonequilibrium temperature, Physical Review E 48, 3196 - 3198 (1993).

  1. C. N. Likos and C. L. Henley, Complex alloy phases for binary hard-disc mixtures, Philosophical Magazine B 68, 85-113 (1993).

  1. C. N. Likos and N. W. Ashcroft, Density-functional theory of nonuniform classical fluids: an extended modified weighted-density approximation, Journal of Chemical Physics 99, 9090-9102 (1993).

1992

  1. H. A. Posch and W. G. Hoover, Nonequilibrium molecular dynamics of classical fluids, in Molecular Liquids: new perspectives in Physics and Chemistry, edited by Jose J.C.Teixeira-Dias, NATO-ASI Series C: Mathematical & Physical Sciences (Kluwer Academic Publishers, Dordrecht, 1992), p.527 - 547.

  1. W. G. Hoover, H. A. Posch and C. G. Hoover, Fractal dimension of steady nonequilibrium flow, Chaos 2, 245 - 252 (1992).

  1. P. Flener and F. J. Vesely, Correlated motion of 2 particles in a fluid. II. Molecular dynamics results, Molecular Physics 77/4, (1992) 601.

  1. C. N. Likos and N. W. Ashcroft, Self-consistent theory of freezing of the classical one-component plasma, Physical Review Letters 69, 316-319 (1992).

  1. C. N. Likos and N. W. Ashcroft, Exact integral equations for the distribution functions of liquids and liquid mixtures, Journal of Chemical Physics 97, 9303-9310 (1992).

1991

  1. H. A. Posch, H. Narnhofer, and W. Thirring, "Externally perturbed unstable systems", Journal of Statistical Physics 65, 555 - 578 (1991).

  1. W. G. Hoover, E. Craig, H. A. Posch, B. L. Holian, and C. G. Hoover, "Heat transfer between two degrees of freedom", Chaos 1, 343 - 346 (1991).
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