Publications


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Sega, M, Fabian, B, Horvai, G & Jedlovszky, P 2016, 'How Is the Surface Tension of Various Liquids Distributed along the Interface Normal?' The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), vol 120, no. 48, pp. 27468-27477. DOI: 10.1021/acs.jpcc.6b09880

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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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Kantorovich, S, Pyanzina, E, De Michele, C & Sciortino, F 2013, 'How to calculate structure factors of self-assembling anisotropic particles' Soft Matter, vol 9, no. 17, pp. 4412-4427. DOI: 10.1039/c3sm27895f

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Morawietz, T, Singraber, A, Dellago, C & Behler, J 2016, 'How van der Waals interactions determine the unique properties of water' Proceedings of the National Academy of Sciences of the United States of America (PNAS), vol 113, no. 30, pp. 8368-8373. DOI: 10.1073/pnas.1602375113

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Colognesi, D, Bafile, U, Celli, M, Neumann, M & Orecchini, A 2015, 'Hydrogen self-dynamics in liquid H-2-D-2 mixtures studied through inelastic neutron scattering' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 92, no. 1, 012311. DOI: 10.1103/PhysRevE.92.012311

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Geiger, P & Dellago, C 2010, 'Identifying rare chaotic and regular trajectories in dynamical systems with Lyapunov weighted path sampling' Chemical Physics, vol 375, no. 2-3, pp. 309-315. DOI: 10.1016/j.chemphys.2010.04.024

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Nerattini, F, Chelli, R & Procacci, P 2016, 'II. Dissociation free energies in drug-receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands' Physical Chemistry Chemical Physics - PCCP, vol 18, no. 22, pp. 15005-15018. DOI: 10.1039/c5cp05521k

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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.
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Sindt, JO, Camp, PJ, Kantorovich, SS, Elfimova, EA & Ivanov, AO 2016, 'Influence of dipolar interactions on the magnetic susceptibility spectra of ferrofluids' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 93, no. 6, 063117. DOI: 10.1103/PhysRevE.93.063117

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Matthews, RJ & Likos, C 2012, 'Influence of fluctuating membranes on self-assembly of patchy colloids' Physical Review Letters, vol 109, no. 17, 178302. DOI: 10.1103/PhysRevLett.109.178302

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Shabbir, H & Hartmann, M 2017, 'Influence of reversible cross-link coordination on the mechanical behavior of a linear polymer chain' New Journal of Physics, vol 19, 093024. DOI: 10.1088/1367-2630/aa87d2

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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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Narros, A, Moreno, AJ & Likos, C 2010, 'Influence of topology on effective potentials: coarse-graining ring polymers' Soft Matter, vol 6, no. 11, pp. 2435-2441. DOI: 10.1039/C001523G

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Wynveen, A & Likos, C 2010, 'Interactions between planar polyelectrolyte brushes: effects of stiffness and salt' Soft Matter, vol 6, no. 1, pp. 163-171. DOI: 10.1039/B919808C

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Camargo, M & Likos, C 2011, 'Interfacial and wetting behaviour of phase-separating ultrasoft mixtures' Molecular Physics: an international journal in the field of chemical physics, vol 109, no. 7-10, pp. 1121-1132. DOI: 10.1080/00268976.2010.548344

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Moritz, C, Troester, A & Dellago, C 2017, 'Interplay of fast and slow dynamics in rare transition pathways: The disk-to-slab transition in the 2d Ising model' Journal of Chemical Physics, vol 147, no. 15, 152714. DOI: 10.1063/1.4997479

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Hantal, G, Sega, M, Kantorovich, S, Schroeder, C & Jorge, M 2015, 'Intrinsic Structure of the Interface of Partially Miscible Fluids: An Application to Ionic Liquids' The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), vol 119, no. 51, pp. 28448-28461. DOI: 10.1021/acs.jpcc.5b09810

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Likos, CN 2013, 'Inverse patchy colloids: From coarse-graining to self-assembly' American Chemical Society. Abstracts of Papers (at the National Meeting), vol 246, 380-COLL.

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Bianchi, E, Kahl, G & Likos, C 2011, 'Inverse patchy colloids: from microscopic description to mesoscopic coarse-graining' Soft Matter, vol 7, no. 18, pp. 8313-8323. DOI: 10.1039/c1sm05597f

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Bianchi, E, van Oostrum, PDJ, Likos, CN & Kahl, G 2017, 'Inverse patchy colloids: Synthesis, modeling and self-organization' Current Opinion in Colloid & Interface Science, vol 30, pp. 8-15. DOI: 10.1016/j.cocis.2017.03.010

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Chandler, D, Dellago, C & Geissler, PL 2012, 'Ion Dynamics: Wired-up water' Nature Chemistry, vol 4, no. 4, pp. 245-247. DOI: 10.1038/nchem.1300

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Lauricella, M, Pontrelli, G, Coluzza, I, Pisignano, D & Succi, S 2015, 'JETSPIN: A specific-purpose open-source software for simulations of nanofiber electrospinning' Computer Physics Communications, vol 197, pp. 227-238. DOI: 10.1016/j.cpc.2015.08.013

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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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Coluzza, I, Jackson, SE, Micheletti, C & Miller, MA 2015, 'Knots in soft condensed matter Preface' Journal of Physics: Condensed Matter, vol 27, no. 35, 350301. DOI: 10.1088/0953-8984/27/35/350301

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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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Fabian, B, Sega, M, Voloshin, VP, Medvedev, NN & Jedlovszky, P 2017, 'Lateral Pressure Profile and Free Volume Properties in Phospholipid Membranes Containing Anesthetics' The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol 121, no. 13, pp. 2814-2824. DOI: 10.1021/acs.jpcb.7b00990

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Sega, M, Fabian, B & Jedlovszky, P 2015, 'Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces' Journal of Chemical Physics, vol 143, no. 11, 114709. DOI: 10.1063/1.4931180

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Bianchi, E, Capone, B, Coluzza, I, Rovigatti, L & van Oostrum, PDJ 2017, 'Limiting the valence: advancements and new perspectives on patchy colloids, soft functionalized nanoparticles and biomolecules' Physical Chemistry Chemical Physics - PCCP, vol 19, no. 30, pp. 19847-19868. DOI: 10.1039/c7cp03149a

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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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Sega, M & Dellago, C 2017, 'Long-Range Dispersion Effects on the Water/Vapor Interface Simulated Using the Most Common Models' The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol 121, no. 15, pp. 3798-3803. DOI: 10.1021/acs.jpcb.6b12437

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Ivanov, AO, Kantorovich, SS, Rovigatti, L, Tavares, JM & Sciortino, F 2015, 'Low temperature structural transitions in dipolar hard spheres: The influence on magnetic properties' Journal of Magnetism and Magnetic Materials, vol 383, pp. 272-276. DOI: 10.1016/j.jmmm.2014.10.013

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van Meel, JA & Posch, H 2009, 'Lyapunov instability of rough hard-disk fluids' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 80, 016206. DOI: 10.1103/PhysRevE.80.016206

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Eckmann, JP, Forster, C, Posch, H & Zabey, E 2005, 'Lyapunov modes in hard-disk systems' Journal of Statistical Physics, vol 118, no. 5-6, pp. 813-847. DOI: 10.1007/s10955-004-2687-4

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Forster, C & Posch, H 2005, 'Lyapunov modes in soft-disk fluids' New Journal of Physics, vol 7, 32. DOI: 10.1088/1367-2630/7/1/032

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Köfinger, J, Hummer, G & Dellago, C 2008, 'Macroscopically Ordered Water in Nanopores' Proceedings of the National Academy of Sciences of the United States of America (PNAS), vol 105, no. 36, pp. 13218-13222. DOI: 10.1073/pnas.0801448105

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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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Bucko, T, Benco, L, Dubay, O, Dellago, C & Hafner, J 2009, 'Mechanism of alkane dehydrogenation catalyzed by acidic zeolites: Ab initio transition path sampling' Journal of Chemical Physics, vol 131, no. 21, 214508. DOI: 10.1063/1.3265715

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De Las Heras, D, Varga, S & Vesely, F 2011, 'Mesophase formation in a system of top-shaped hard molecules: Density functional theory and Monte Carlo simulation' Journal of Chemical Physics, vol 134, no. 21, 214902. DOI: 10.1063/1.3596749

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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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Karch, R, Neumann, F, Ullrich, R, Heinze, G, Neumüller, J, Podesser, BK & Neumann, M 2010, 'Methods from the Theory of Random Heterogeneous Media for Quantifying Myocardial Morphology in Normal and Dilated Hearts' Annals of Biomedical Engineering, vol 38, no. 2, pp. 308-318. DOI: 10.1007/s10439-009-9848-1

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Köfinger, J & Dellago, C 2010, 'Microscopic properties of nanopore water from its time-dependent dielectric response' Physical Review B (Condensed Matter and Materials Physics), vol 82, no. 20, 205416. DOI: 10.1103/PhysRevB.82.205416

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Gieseler, J, Jain, V, Moritz, C, Dellago, C, Quidant, R & Novotny, L 2016, Microscopic thermodynamics with levitated nanoparticles. in Optical Trapping and Optical Micromanipulation XIII., 992208, Proceedings of SPIE, vol. 9922, SPIE-INT SOC OPTICAL ENGINEERING, Conference on Optical Trapping and Optical Micromanipulation XIII, San Diego, United States, 28-1 September. DOI: 10.1117/12.2237380

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Lenz, D, Blaak, R, Likos, C & Mladek, B 2012, 'Microscopically Resolved Simulations Prove the Existence of Soft Cluster Crystals' Physical Review Letters, vol 109, no. 22, 228301. DOI: 10.1103/PhysRevLett.109.228301

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Weeber, R, Klinkigt, M, Kantorovich, S & Holm, C 2013, 'Microstructure and magnetic properties of magnetic fluids consisting of shifted dipole particles under the influence of an external magnetic field' Journal of Chemical Physics, vol 139, no. 21, 214901. DOI: 10.1063/1.4832239

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Minina, E, Muratova, A, Cerdà, JJ & Kantorovich, S 2013, 'Microstructure of bidisperse ferrofluids in a thin layer' Journal of Experimental and Theoretical Physics, vol 116, no. 3, pp. 424-441. DOI: 10.1134/S1063776113020027

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Coluzza, I 2013, 'Minimum constraint principle to define quantitative models for protein folding and design' American Chemical Society. Abstracts of Papers (at the National Meeting), vol 246, 69-PHYS.

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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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Muratova, A & Kantorovich, S 2013, 'Mobility coefficients in the systems of magnetic dipolar particles' Magnetohydrodynamics, vol 49, no. 1-2, pp. 153-159.

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Kumaraswamy, G, Manoharan, VN, Singh, J, Bachhar, N, Kulkarni, S, Bandyopadhyay, R, Punnathanam, S, Srivastav, A, Roy Chowdhury, P, Frenkel, D, Kumar, GVP, Sridurai, V, Dhabal, D, Eiser, E, Tripathy, M, Edwards, A, Prasad, BLV, Basavaraj, MG, Yadav, HOS, Walker, L, Kumar, S, Chakravarty, C, Shinde, V, Bandyopadhyaya, R, Jestin, J, Laradji, M, Kantorovich, S, Kotov, N, Gang, O, Kumar, S, Botet, R, Kolli, HB, Joshi, YM & Sánchez, PA 2016, 'Modeling and Theory: general discussion' Faraday Discussions, vol 186, pp. 371-398. DOI: 10.1039/C6FD90002J

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Theodorakis, P & Fytas, NG 2012, 'Molecular Dynamics Simulations of Bottle-Brush Polymers with a Flexible Backbone under Theta and Good Solvent Conditions' American Journal of Condensed Matter Physics, vol 2, no. 4, pp. 101-108. DOI: 10.5923/j.ajcmp.20120204.05

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