Publications


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Novak, E, Minina, E, Pyanzina, E, Kantorovich, S & Ivanov, A 2013, 'Structure factor of model bidisperse ferrofluids with relatively weak interparticle interactions' Journal of Chemical Physics, vol 139, no. 22, 224905. DOI: 10.1063/1.4834635

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Novak, EV & Kantorovich, SS 2017, 'Self-assembly of colloids with magnetic caps' Journal of Magnetism and Magnetic Materials, vol 431, pp. 214-217. DOI: 10.1016/j.jmmm.2016.09.028

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Novak, EV, Pyanzina, ES & Kantorovich, SS 2015, 'Behaviour of magnetic Janus-like colloids' Journal of Physics: Condensed Matter, vol 27, no. 23, 234102. DOI: 10.1088/0953-8984/27/23/234102

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Oberhofer, H & Dellago, C 2007, 'Large time-step, fast-switching free energy calculations with non-symplectic integrators' Israel Journal of Chemistry, vol 47, no. 2, pp. 215-223. DOI: 10.1560/IJC.47.2.215

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Oberhofer, H & Dellago, C 2008, 'Optimum bias for fast-switching free energy calculations' Computer Physics Communications, vol 179, no. 1-3, pp. 41-45. DOI: 10.1016/j.cpc.2008.01.017

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Oberhofer, H, Dellago, C & Boresch, S 2007, 'Single molecule pulling with large time steps' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 75, no. 6, 061106. DOI: 10.1103/PhysRevE.75.061106

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Oberhofer, H & Dellago, C 2009, 'Efficient extraction of free energy profiles from nonequilibrium experiments' Journal of Computational Chemistry, vol 30, no. 11, pp. 1726-1736. DOI: 10.1002/jcc.21290

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Omasits, U, Knapp, B, Neumann, M, Steinhauser, O, Stockinger, H, Kobler, R & Schreiner, W 2008, 'Analysis of key parameters for molecular dynamics of pMHC molecules' Molecular Simulation, vol 34, no. 8, pp. 781-793. DOI: 10.1080/08927020802256298

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Pauschenwein, G, Caillol, JM, Levesque, D, Weis, JJ, Schöll-Paschinger, E & Kahl, G 2007, 'Liquid-vapor transition of systems with mean field universality class' Journal of Chemical Physics, vol 126, no. 1, 014501. DOI: 10.1063/1.2405353

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Pedersen, UR, Hummel, F, Kresse, G, Kahl, G & Dellago, C 2013, 'Computing Gibbs free energy differences by interface pinning' Physical Review B (Condensed Matter and Materials Physics), vol 88, no. 9, 094101. DOI: 10.1103/PhysRevB.88.094101

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Pedersen, UR, Hummel, F & Dellago, C 2015, 'Computing the crystal growth rate by the interface pinning method' Journal of Chemical Physics, vol 142, no. 4, 044104. DOI: 10.1063/1.4905955

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Perfumi, S, Cardelli, C, Bagnoli, F & Guazzini, A 2016, Conformity in Virtual Environments: A Hybrid Neurophysiological and Psychosocial Approach. in Internet Science: Third International Conference, INSCI 2016, Florence, Italy, September 12-14, 2016, Proceedings. Lecture Notes in Computer Science, vol. 9934, Springer International Publishing AG, pp. 148-157. DOI: 10.1007/978-3-319-45982-0_14

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Poier, P, Likos, CN & Matthews, R 2014, 'Influence of Rigidity and Knot Complexity on the Knotting of Confined Polymers' Macromolecules, vol 47, no. 10, pp. 3394-3400. DOI: 10.1021/ma5006414

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Poier, P, Egorov, SA, Likos, CN & Blaak, R 2016, 'Concentration-induced planar-to-homeotropic anchoring transition of stiff ring polymers on hard walls' Soft Matter, vol 12, no. 38, pp. 7983-7994. DOI: 10.1039/c6sm01453d

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Poier, P, Likos, CN, Moreno, AJ & Blaak, R 2015, 'An Anisotropic Effective Model for the Simulation of Semiflexible Ring Polymers' Macromolecules, vol 48, no. 14, pp. 4983-4997. DOI: 10.1021/acs.macromol.5b00603

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Poier, P, Bacova, P, Moreno, AJ, Likos, CN & Blaak, R 2016, 'Anisotropic effective interactions and stack formation in mixtures of semiflexible ring polymers' Soft Matter, vol 12, no. 21, pp. 4805-4820. DOI: 10.1039/c6sm00430j

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Posch, H & Thirring, W 2000, 'Some aspects of the classical three-body problem that are close or foreign to physical intuition' Journal of Mathematical Physics, vol 41, no. 6, pp. 3430-3447. DOI: 10.1063/1.533318

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Posch, H & Bosetti, H 2011, Covariant Lyapunov vectors and local exponents. in NONEQUILIBRIUM STATISTICAL PHYSICS TODAY: Proceedings of the 11th Granada Seminar; 11th Granada Seminar on Computational and Statistical Physics;La Herradura, SPAIN, SEP 13-17, 2010. AIP Conference Proceedings, Springer New York LLC, pp. 230-231. DOI: 10.1063/1.3569510

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Posch, H 2013, 'Symmetry properties of orthogonal and covariant Lyapunov vectors and their exponents' Journal of Physics A: Mathematical and Theoretical, vol 46, no. 25, 254006. DOI: 10.1088/1751-8113/46/25/254006

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Potestio, R & Tubiana, L 2016, 'Discretized knot motion on a tensioned fiber induced by transverse waves' Soft Matter, vol 12, no. 3, pp. 669-673. DOI: 10.1039/c5sm01766a

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Prehal, C, Koczwara, C, Jaeckel, N, Schreiber, A, Burian, M, Amenitsch, H, Hartmann, MA, Presser, V & Paris, O 2017, 'Quantification of ion confinement and desolvation in nanoporous carbon supercapacitors with modelling and in situ X-ray scattering' Nature Energy, vol 2, no. 3, 16215. DOI: 10.1038/nenergy.2016.215

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Pyanzina, ES, Kantorovich, SS & De Michele, C 2015, 'Nematic phase characterisation of the self-assembling sphere-cylinders based on the theoretically calculated RDFs' European Physical Journal E. Soft Matter, vol 38, no. 7, 81. DOI: 10.1140/epje/i2015-15081-8

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Pyanzina, ES, Gudkova, AV, Donaldson, JG & Kantorovich, SS 2017, 'Cluster analysis in systems of magnetic spheres and cubes' Journal of Magnetism and Magnetic Materials, vol 431, pp. 201-204. DOI: 10.1016/j.jmmm.2016.09.048

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Pyanzina, ES, Sánchez, PA, Cerdà, JJ, Sintes, T & Kantorovich, S 2017, 'Scattering properties and internal structure of magnetic filament brushes' Soft Matter, vol 13, pp. 2590 -2602. DOI: 10.1039/C6SM02606K

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Raccis, R, Nikoubashman, A, Retsch, M, Jonas, U, Koynov, K, Butt, H-J, Likos, C & Fytas, G 2011, 'Confined Diffusion in Periodic Porous Nanostructures' ACS Nano, vol 5, no. 6, pp. 4607-4616. DOI: 10.1021/nn200767x

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Reischl, B, Köfinger, J & Dellago, C 2009, 'The statistics of electric field fluctuations in liquid water' Molecular Physics: an international journal in the field of chemical physics, vol 107, no. 4-6, pp. 495-502. DOI: 10.1080/00268970902865493

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Riest, J, Mohanty, P, Schurtenberger, P & Likos, C 2012, 'Coarse-graining of ionic microgels: Theory and experiment' Zeitschrift für Physikalische Chemie / International Journal of Research in Physical Chemistry and Chemical Physics, vol 226, no. 7-8, pp. 711-735. DOI: 10.1524/zpch.2012.0258

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Riest, J, Athanasopoulou, L, Egorov, SA, Likos, CN & Ziherl, P 2015, 'Elasticity of polymeric nanocolloidal particles' Scientific Reports, vol 5, 15854. DOI: 10.1038/srep15854

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Roldan-Vargas, S, Rovigatti, L & Sciortino, F 2017, 'Connectivity, dynamics, and structure in a tetrahedral network liquid' Soft Matter, vol 13, no. 2, pp. 514-530. DOI: 10.1039/c6sm02282k

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Rondin, L, Gieseler, J, Ricci, F, Quidant, R, Dellago, C & Novotny, L 2017, 'Direct measurement of Kramers turnover with a levitated nanoparticle' Nature Nanotechnology, vol 12, no. 12, pp. 1130-1133. DOI: 10.1038/NNANO.2017.198

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Ronti, M, Rovigatti, L, Tavares, JM, Ivanov, AO, Kantorovich, SS & Sciortino, F 2017, 'Free energy calculations for rings and chains formed by dipolar hard spheres' Soft Matter, vol 13, no. 43, pp. 7870-7878. DOI: 10.1039/c7sm01692a

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Rovigatti, L, Gnan, N, Parola, A & Zaccarelli, E 2015, 'How soft repulsion enhances the depletion mechanism' Soft Matter, vol 11, no. 4, pp. 692-700. DOI: 10.1039/c4sm02218a

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Rovigatti, L, Kantorovich, S, Ivanov, AO, Tavares, JM & Sciortino, F 2013, 'Branching points in the low-temperature dipolar hard sphere fluid' Journal of Chemical Physics, vol 139, no. 13, 134901. DOI: 10.1063/1.4821935

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Rovigatti, L, Bianco, V, Tavares, JM & Sciortino, F 2017, 'Communication: Re-entrant limits of stability of the liquid phase and the Speedy scenario in colloidal model systems' Journal of Chemical Physics, vol 146, no. 4, 041103. DOI: 10.1063/1.4974830

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Rovigatti, L, Capone, B & Likos, C 2016, 'Soft self-assembled nanoparticles with temperature dependent properties' Nanoscale, vol 8, no. 6, pp. 3288 – 3295. DOI: 10.1039/c5nr04661k

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Rovigatti, L, Sulc, P, Reguly, IZ & Romano, F 2015, 'A Comparison between Parallelization Approaches in Molecular Dynamics Simulations on GPUs' Journal of Computational Chemistry, vol 36, no. 1, pp. 1-8. DOI: 10.1002/jcc.23763

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Rozhkov, D, Pyanzina, ES, Novak, E, Cerdà, JJ, Sintes, T, Ronti, M, Sánchez, PA & Kantorovich, S 2017, 'Self-assembly of polymer-like structures of magnetic colloids: Langevin dynamics study of basic topologies' Molecular Simulation. DOI: 10.1080/08927022.2017.1378815
Elektronische Veröffentlichung vor Drucklegung

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Rubenstein, BM, Coluzza, I & Miller, MA 2012, 'Controlling the Folding and Substrate-Binding of Proteins Using Polymer Brushes' Physical Review Letters, vol 108, no. 20, 208104. DOI: 10.1103/PhysRevLett.108.208104

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Sánchez, PA, Dobroserdova, A, Gundermann, T, Kantorovich, S & Odenbach, S 2017, 'Importance of matrix inelastic deformations in the initial response of magnetic elastomers' Soft Matter.
Eingereicht

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Sánchez, PA, Pyanzina, ES, Novak, EV, Cerdà, JJ, Sintes, T & Kantorovich, S 2015, 'Supramolecular Magnetic Brushes: The Impact of Dipolar Interactions on the Equilibrium Structure' Macromolecules, vol 48, no. 20, pp. 7658–7669. DOI: 10.1021/acs.macromol.5b01086

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Sánchez, PA, Smiatek, J, Qiao, B, Sega, M & Holm, C 2016, Atomistic simulation of oligoelectrolyte multilayers growth. in WE Nagel, DH Kröner & MM Resch (eds), High Performance Computing in Science and Engineering '15: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015. Springer, pp. 215-228. DOI: 10.1007/978-3-319-24633-8_14

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Sánchez, PA, Pyanzina, ES, Novak, EV, Cerdà, JJ, Sintes, T & Kantorovich, SS 2016, 'Magnetic filament brushes: tuning the properties of a magnetoresponsive supramolecular coating' Faraday Discussions, vol 186, pp. 241-263. DOI: 10.1039/C5FD00133A

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Sánchez, PA, Cerdà, JJ, Sintes, TM, Ivanov, AO & Kantorovich, S 2015, 'The effect of links on the interparticle dipolar correlations in supramolecular magnetic filaments' Soft Matter, vol 11, no. 15, pp. 2963-2972. DOI: 10.1039/C5SM00172B

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Schilling, T, Miller, MA & Jungblut, S 2009, 'Percolation in networks of nanorods' American Chemical Society. Abstracts of Papers (at the National Meeting), vol 238.

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Schilling, T, Jungblut, S & Miller, MA 2010, Networks of nanorods. in KD Sattler (ed.), Handbook of Nanophysics: Nanotubes and Nanowires., Ch. 23, CRC Press Taylor & Francis Group.

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Schilling, T, Dorosz, S, Radu, M, Mathew, M, Jungblut, S & Binder, K 2013, 'Mixtures of anisotropic and spherical colloids: Phase behavior, confinement, percolation phenomena and kinetics' European Physical Journal. Special Topics, vol 222, no. 11, pp. 3039-3052. DOI: 10.1140/epjst/e2013-02074-y

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Schöll-Paschinger, E & Dellago, C 2010, 'Demixing of a binary symmetric mixture studied with transition path sampling' Journal of Chemical Physics, vol 133, no. 10, 104505. DOI: 10.1063/1.3486173

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Schreiner, W, Karch, R, Neumann, M, Neumann, F, Roedler, SM & Heinze, G 2003, 'Heterogeneous perfusion is a consequence of uniform shear stress in optimized arterial tree models' Journal of Theoretical Biology, vol 220, no. 3, pp. 285-301. DOI: 10.1006/jtbi.2003.3136

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Sega, M, Sbragaglia, M, Kantorovich, SS & Ivanov, AO 2013, 'Mesoscale structures at complex fluid-fluid interfaces: a novel lattice Boltzmann/molecular dynamics coupling' Soft Matter, vol 9, no. 42, pp. 10092-10107. DOI: 10.1039/c3sm51556g

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Sega, M, Kantorovich, S & Arnold, A 2015, 'Kinetic dielectric decrement revisited: phenomenology of finite ion concentrations' Physical Chemistry Chemical Physics - PCCP, vol 17, no. 1, pp. 130-133. DOI: 10.1039/c4cp04182h

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