Publications


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355 Results
Neuhaus, T & Likos, C 2011, 'Phonon dispersions of cluster crystals' Journal of Physics: Condensed Matter, vol 23, no. 23, 234112. DOI: 10.1088/0953-8984/23/23/234112

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Lechner, W & Dellago, C 2009, 'Point defects in two-dimensional colloidal crystals: simulation vs. elasticity theory' Soft Matter, vol 5, no. 3, pp. 646-659. DOI: 10.1039/B810554E

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Geissler, PL, van Voorhis, T & Dellago, C 2000, 'Potential energy landscape for proton transfer in (H2O)3H+ : Comparison of density functional theory and wavefunction-based methods' Chemical Physics Letters, vol 324, no. 1-3, pp. 149-155. DOI: 10.1016/S0009-2614(00)00479-6

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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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Grünwald, M, Dellago, C & Geissler, PL 2008, 'Precision shooting: Sampling long transition pathways' Journal of Chemical Physics, vol 129, no. 19, 194101. DOI: 10.1063/1.2978000

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Sega, M, Fabian, B & Jedlovszky, P 2016, 'Pressure Profile Calculation with Mesh Ewald Methods' Journal of Chemical Theory and Computation, vol 12, no. 9, pp. 4509-4515. DOI: 10.1021/acs.jctc.6b00576

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Geiger, P, Dellago, C, Macher, M, Franchini, C, Kresse, G, Bernard, J, Stern, JN & Loerting, T 2014, 'Proton Ordering of Cubic Ice Ic: Spectroscopy and Computer Simulations' The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), vol 118, no. 20, pp. 10989-10997. DOI: 10.1021/jp500324x

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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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Lechner, W, Dellago, C & Bolhuis, PG 2011, 'Reaction coordinates for the crystal nucleation of colloidal suspensions extracted from the reweighted path ensemble' Journal of Chemical Physics, vol 135, no. 15, 154110. DOI: 10.1063/1.3651367

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Bolhuis, PG, Dellago, C & Chandler, D 2000, 'Reaction coordinates of biomolecular isomerization' Proceedings of the National Academy of Sciences of the United States of America (PNAS), vol 97, no. 11, pp. 5877-5882. DOI: 10.1073/pnas.100127697

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Dellago, C & Posch, H 2008, Realizing Boltzmann's dream: computer simulations in modern statistical mechanics. in G Gallavotti, WL Reiter & J Yngvason (eds), Boltzmann's Legacy. ESI Lectures in Mathematics and Physics, vol. 5, European Mathematical Society, pp. 171–201. DOI: 10.4171/057-1/12

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Sega, M, Fabian, B, Imre, AR & Jedlovszky, P 2017, 'Relation between the Liquid Spinodal Pressure and the Lateral Pressure Profile at the Liquid-Vapor Interface' The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), vol 121, no. 22, pp. 12214-12219. DOI: 10.1021/acs.jpcc.7b02573

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Coluzza, I, Capone, B & Hansen, J-P 2011, 'Rescaling of structural length scales for "soft effective segment" representations of polymers in good solvent' Soft Matter, vol 7, no. 11, pp. 5255-5259. DOI: 10.1039/c1sm05335c

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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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Hansen, J-P & Likos, C 2011, 'Robert Evans FRS' Molecular Physics: an international journal in the field of chemical physics, vol 109, no. 7-10, pp. 997-998. DOI: 10.1080/00268976.2011.564464

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Najafi, S, Podgornik, R, Potestio, R & Tubiana, L 2016, 'Role of Bending Energy and Knot Chirality in Knot Distribution and Their Effective Interaction along Stretched Semiflexible Polymers' Polymers, vol 8, no. 10, 347. DOI: 10.3390/polym8100347

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Lechner, W, Dellago, C & Bolhuis, PG 2011, 'Role of the Prestructured Surface Cloud in Crystal Nucleation' Physical Review Letters, vol 106, no. 8, 085701. DOI: 10.1103/PhysRevLett.106.085701

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Bianco, V, Franzese, G, Dellago, C & Coluzza, I 2017, 'Role of Water in the Selection of Stable Proteins at Ambient and Extreme Thermodynamic Conditions' Physical Review X, vol 7, no. 2, 021047. DOI: 10.1103/PhysRevX.7.021047

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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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Nikoubashman, A & Likos, C 2010, Self-assembled structures of Gaussian nematic particles. in Special issue on new trends in simulating colloids and self-assembling systems., 104107, Journal of Physics: Condensed Matter, no. 10, vol. 22, IOP Publishing Ltd. DOI: 10.1088/0953-8984/22/10/104107

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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, E, Rozhkov, D, Sánchez, PA & Kantorovich, S 2017, 'Self-assembly of designed supramolecular magnetic filaments of different shapes' Journal of Magnetism and Magnetic Materials, vol 431, pp. 152-156. DOI: 10.1016/j.jmmm.2016.10.046

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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, Likos, CN & Kahl, G 2013, 'Self-Assembly of Heterogeneously Charged Particles under Confinement' ACS Nano, vol 7, no. 5, pp. 4657-4667. DOI: 10.1021/nn401487m

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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
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Koch, C, Likos, C, Panagiotopoulos, A & LoVerso, F 2011, 'Self-assembly scenarios of block copolymer stars' Molecular Physics: an international journal in the field of chemical physics, vol 109, no. 23-24, pp. 3049-3060. DOI: 10.1080/00268976.2011.627385

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Dobroserdova, AB & Kantorovich, SS 2017, 'Self-diffusion in monodisperse three-dimensional magnetic fluids by molecular dynamics simulations' Journal of Magnetism and Magnetic Materials, vol 431, pp. 176-179. DOI: 10.1016/j.jmmm.2016.09.117

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Lechner, W, Polster, D, Maret, G, Keim, P & Dellago, C 2013, 'Self-organized defect strings in two-dimensional crystals' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 88, no. 6, 060402. DOI: 10.1103/PhysRevE.88.060402

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Coluzza, I, van Oostrum, P, Capone, B, Reimhult, E & Dellago, C 2013, 'Sequence Controlled Self-Knotting Colloidal Patchy Polymers' Physical Review Letters, vol 110, no. 7, 075501. DOI: 10.1103/PhysRevLett.110.075501

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Tröster, A 2010, 'Short-range character of the antiferromagnetic Ising model with 1/r (p) interaction' Physical Review B (Condensed Matter and Materials Physics), vol 81, no. 1, 012406. DOI: 10.1103/PhysRevB.81.012406

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Vogler, C, Bruckner, F, Bergmair, B, Huber, T, Suess, D & Dellago, C 2013, 'Simulating rare switching events of magnetic nanostructures with forward flux sampling' Physical Review B (Condensed Matter and Materials Physics), vol 88, no. 13, 134409. DOI: 10.1103/PhysRevB.88.134409

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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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Fabian, B, Sega, M, Horvai, G & Jedlovszky, P 2017, 'Single Particle Dynamics at the Intrinsic Surface of Various Apolar, Aprotic Dipolar, and Hydrogen Bonding Liquids As Seen from Computer Simulations' The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol 121, no. 22, pp. 5582-5594. DOI: 10.1021/acs.jpcb.7b02220

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

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Köfinger, J, Hummer, G & Dellago, C 2011, 'Single-file water in nanopores' Physical Chemistry Chemical Physics - PCCP, vol 13, no. 34, pp. 15403-15417. DOI: 10.1039/C1CP21086F

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Fernandez-Castanon, J, Bomboi, F, Rovigatti, L, Zanatta, M, Paciaroni, A, Comez, L, Porcar, L, Jafta, CJ, Fadda, GC, Bellini, T & Sciortino, F 2016, 'Small-angle neutron scattering and molecular dynamics structural study of gelling DNA nanostars' Journal of Chemical Physics, vol 145, no. 8, 084910. DOI: 10.1063/1.4961398

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Mukamel, D & Posch, H 2009, 'Soft disks in a narrow channel' Journal of Statistical Mechanics: Theory and Experiment, vol 2009, no. 03, P03014. DOI: 10.1088/1742-5468/2009/03/P03014

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Bianchi, E & Capone, B 2013, 'Soft patchy colloids: The role of directional bonding, soft interactions, and deformability on the self-assembly' American Chemical Society. Abstracts of Papers (at the National Meeting), vol 246, 198-PHYS.

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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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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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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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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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Varga, S, Velasco, E, Mederos, L & Vesely, F 2009, 'Stability of the columnar and smectic phases of length-bidisperse parallel hard cylinders' Molecular Physics: an international journal in the field of chemical physics, vol 107, no. 23-24, pp. 2481-2492. DOI: 10.1080/00268970903369180

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Karch, R, Neumann, F, Neumann, M & Schreiner, W 2000, 'Staged Growth of Optimized Arterial Model Trees' Annals of Biomedical Engineering, vol 28, no. 5, pp. 495-511. DOI: 10.1114/1.290

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Lenz, DA, Blaak, R & Likos, C 2012, 'Structural properties of dendrimer-colloid mixtures' Journal of Physics: Condensed Matter, vol 24, no. 28, 284119. DOI: 10.1088/0953-8984/24/28/284119

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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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Maleki, H & Theodorakis, P 2011, 'Structure of bottle-brush brushes under good solvent conditions: a molecular dynamics study' Journal of Physics: Condensed Matter, vol 23, no. 50, 505104. DOI: 10.1088/0953-8984/23/50/505104

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Matthews, R & Likos, CN 2013, 'Structures and pathways for clathrin self-assembly in the bulk and on membranes' Soft Matter, vol 9, no. 24, pp. 5794-5806. DOI: 10.1039/c3sm50737h

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Novak, E, Pyanzina, ES, Rozhkov, D, Sánchez, PA & Kantorovich, S 2017, 'Supracolloidal magnetic polymer-like aggregates: structural properties of self-assembled pairs' Journal of Magnetism and Magnetic Materials. DOI: 10.1016/j.jmmm.2017.10.075
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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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