Publications


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Ivanov, AO, Zverev, VS & Kantorovich, S 2016, 'Revealing the signature of dipolar interactions in dynamic spectra of polydisperse magnetic nanoparticles' Soft Matter, vol. 12, no. 15, pp. 3507-3513. DOI: 10.1039/c5sm02679b

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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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Menzl, G, Singraber, A & Dellago, C 2016, 'S-shooting: A Bennett-Chandler-like method for the computation of rate constants from committor trajectories' Faraday Discussions, vol. 195, pp. 345-364. DOI: 10.1039/c6fd00124f

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Angulo, G, Astumian, RD, Beniwal, V, Bolhuis, PG, Dellago, C, Ellis, J, Ensing, B, Glowacki, DR, Hammes-Schiffer, S, Kästner, J, Lelièvre, T, Makri, N, Manolopoulos, D, Menzl, G, Miller, TF, Mulholland, A, Oprzeska-Zingrebe, EA, Parrinello, M, Pollak, E, Proppe, J, Reiher, M, Richardson, J, Roy Chowdhury, P, Sanz, E, Schütte, C, Shalashilin, D, Szabla, R, Taraphder, S, Tiwari, A, Vanden-Eijnden, E, Vijaykumar, A & Zinovjev, K 2016, 'New methods: General discussion' Faraday Discussions, vol. 195, pp. 521-556. DOI: 10.1039/C6FD90075E

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Nikoubashman, A, Mahynski, NA, Capone, B, Panagiotopoulos, AZ & Likos, CN 2015, 'Coarse-graining and phase behavior of model star polymer-colloid mixtures in solvents of varying quality' Journal of Chemical Physics, vol. 143, no. 24, 243108. DOI: 10.1063/1.4931410

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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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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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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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Sega, M, Sbragaglia, M, Biferale, L & Succi, S 2015, 'The importance of chemical potential in the determination of water slip in nanochannels' European Physical Journal E. Soft Matter, vol. 38, no. 11, 127. DOI: 10.1140/epje/i2015-15127-y

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Bellissima, S, Neumann, M, Guarini, E, Bafile, U & Barocchi, F 2015, 'Time dependence of the velocity autocorrelation function of a fluid: An eigenmode analysis of dynamical processes' Physical Review E, vol. 92, no. 4, 042166. DOI: 10.1103/PhysRevE.92.042166

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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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Weeber, R, Kantorovich, S & Holm, C 2015, 'Ferrogels cross-linked by magnetic particles: Field-driven deformation and elasticity studied using computer simulations' Journal of Chemical Physics, vol. 143, no. 15, 154901. DOI: 10.1063/1.4932371

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Lauricella, M, Pontrelli, G, Coluzza, I, Pisignano, D & Succi, S 2015, 'Different regimes of the uniaxial elongation of electrically charged viscoelastic jets due to dissipative air drag' Mechanics research communications, vol. 69, pp. 97-102. DOI: 10.1016/j.mechrescom.2015.06.014

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Wirnsberger, P, Frenkel, D & Dellago, C 2015, 'An enhanced version of the heat exchange algorithm with excellent energy conservation properties' Journal of Chemical Physics, vol. 143, no. 12, 124104. DOI: 10.1063/1.4931597

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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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Colla, T & Likos, CN 2015, 'Effective interactions in polydisperse systems of penetrable macroions' Molecular Physics: an international journal in the field of chemical physics, vol. 113, no. 17-18, pp. 2496-2510. DOI: 10.1080/00268976.2015.1026295

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Coluzza, I 2015, 'Constrained versus unconstrained folding free-energy landscapes' Molecular Physics: an international journal in the field of chemical physics, vol. 113, no. 17-18, pp. 2905-2912. DOI: 10.1080/00268976.2015.1043031

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Jungblut, S & Dellago, C 2015, 'On the reaction coordinate for seeded crystallisation' Molecular Physics: an international journal in the field of chemical physics, vol. 113, no. 17-18, pp. 2735-2741. DOI: 10.1080/00268976.2015.1038326

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Velasco, CA, Likos, CN & Kahl, G 2015, 'Effective interactions of DNA-stars' Molecular Physics: an international journal in the field of chemical physics, vol. 113, no. 17-18, pp. 2699-2706. DOI: 10.1080/00268976.2015.1048318

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Gupta, S, Stellbrink, J, Zaccarelli, E, Likos, CN, Camargo, M, Holmqvist, P, Allgaier, J, Willner, L & Richter, D 2015, 'Validity of the Stokes-Einstein Relation in Soft Colloids up to the Glass Transition' Physical Review Letters, vol. 115, no. 12, 128302. DOI: 10.1103/PhysRevLett.115.128302

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Guarini, E, Neumann, M, Bafile, U, Celli, M, Colognesi, D, Farhi, E & Calzavara, Y 2015, 'Velocity autocorrelation in liquid parahydrogen by quantum simulations for direct parameter-free computations of neutron cross sections' Physical Review B, vol. 92, no. 10, 104303. DOI: 10.1103/PhysRevB.92.104303

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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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Bolhuis, PG & Dellago, C 2015, 'Practical and conceptual path sampling issues' European Physical Journal. Special Topics, vol. 224, no. 12, pp. 2409-2427. DOI: 10.1140/epjst/e2015-02419-6

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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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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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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, vol. 92, no. 1, 012311. DOI: 10.1103/PhysRevE.92.012311

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Gruenewald, TA, Lassenberger, A, van Oostrum, PDJ, Rennhofer, H, Zirbs, R, Capone, B, Vonderhaid, I, Amenitsch, H, Lichtenegger, HC & Reimhult, E 2015, 'Core-Shell Structure of Monodisperse Poly(ethylene glycol)-Grafted Iron Oxide Nanoparticles Studied by Small-Angle X-ray Scattering' Chemistry of Materials, vol. 27, no. 13, pp. 4763-4771. DOI: 10.1021/acs.chemmater.5b01488

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Bianchi, E, Kahl, G, Likos, CN & Sciortino, F 2015, 'Patchy particles Preface' Journal of Physics: Condensed Matter, vol. 27, no. 23, 230301. DOI: 10.1088/0953-8984/27/23/230301

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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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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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Donaldson, JG, Pyanzina, ES, Novak, EV & Kantorovich, SS 2015, 'Anisometric and anisotropic magnetic colloids: How to tune the response' Journal of Magnetism and Magnetic Materials, vol. 383, pp. 267-271. DOI: 10.1016/j.jmmm.2014.11.013

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Weeber, R, Kantorovich, S & Holm, C 2015, '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, vol. 383, pp. 262-266. DOI: 10.1016/j.jmmm.2015.01.018

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Leitold, C, Lechner, W & Dellago, C 2015, 'A string reaction coordinate for the folding of a polymer chain' Journal of Physics: Condensed Matter, vol. 27, no. 19, 194126. DOI: 10.1088/0953-8984/27/19/194126

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Hasnain, J, Jungblut, S & Dellago, C 2015, 'Dynamical phases of attractive particles sliding on a structured surface' Journal of Physics: Condensed Matter, vol. 27, no. 19, 194122. DOI: 10.1088/0953-8984/27/19/194122

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Vogler, C, Bruckner, F, Suess, D & Dellago, C 2015, 'Calculating thermal stability and attempt frequency of advanced recording structures without free parameters' Journal of Applied Physics, vol. 117, no. 16, 163907. DOI: 10.1063/1.4918902

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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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Gieseler, J, Novotny, L, Moritz, C & Dellago, C 2015, 'Non-equilibrium steady state of a driven levitated particle with feedback cooling' New Journal of Physics, vol. 17, 045011. DOI: 10.1088/1367-2630/17/4/045011

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Lechner, W, Polster, D, Maret, G, Dellago, C & Keim, P 2015, 'Entropy and kinetics of point defects in two-dimensional dipolar crystals' Physical Review E, vol. 91, no. 3, 032304. DOI: 10.1103/PhysRevE.91.032304

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Jungblut, S & Dellago, C 2015, 'Caveats of mean first-passage time methods applied to the crystallization transition: Effects of non-Markovianity' Journal of Chemical Physics, vol. 142, no. 6, 064103. DOI: 10.1063/1.4907364

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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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Colognesi, D, Bafile, U, Celli, M & Neumann, M 2015, 'On the non-Gaussian corrections in the self dynamics of semi-quantum fluids' Chemical Physics, vol. 446, pp. 57-64. DOI: 10.1016/j.chemphys.2014.11.007

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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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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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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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Donaldson, JG & Kantorovich, SS 2015, 'Directional self-assembly of permanently magnetised nanocubes in quasi two dimensional layers' Nanoscale, vol. 7, no. 7, pp. 3217-3228. DOI: 10.1039/c4nr07101h

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Koch, C, Panagiotopoulos, AZ, Lo Verso, F & Likos, CN 2015, 'Customizing wormlike mesoscale structures via self-assembly of amphiphilic star polymers' Soft Matter, vol. 11, no. 18, pp. 3530-3535. DOI: 10.1039/c5sm00219b

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Kantorovich, SS, Ivanov, AO, Rovigatti, L, Tavares, JM & Sciortino, F 2015, 'Temperature-induced structural transitions in self-assembling magnetic nanocolloids' Physical Chemistry Chemical Physics - PCCP, vol. 17, no. 25, pp. 16601-16608. DOI: 10.1039/c5cp01558h

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Theodorakis, PE, Fytas, NG, Kahl, G & Dellago, C 2015, 'Self-assembly of DNA-functionalized colloids' Condensed Matter Physics, vol. 18, no. 2, 22801. DOI: 10.5488/CMP.18.22801

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Bianchi, E, Capone, B, Kahl, G & Likos, CN 2015, 'Soft-patchy nanoparticles: modeling and self-organization' Faraday Discussions, vol. 181, pp. 123-138. DOI: 10.1039/c4fd00271g

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Gupta, S, Camargo, M, Stellbrink, J, Allgaier, J, Radulescu, A, Lindner, P, Zaccarelli, E, Likos, CN & Richter, D 2015, 'Dynamic phase diagram of soft nanocolloids' Nanoscale, vol. 7, no. 33, pp. 13924-13934. DOI: 10.1039/c5nr03702f

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