Publications


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Jungblut, S & Dellago, C 2016, Pathways to self-organization: Crystallization via nucleation and growth. in CN Likos, F Sciortino, P Ziherl & E Zaccarelli (eds), Soft Matter Self-Assembly. Proceedings of the International School of Physics "Enrico Fermi", vol.. 193, IOS Press, pp. 217-290, International School of Physics Enrico Fermi, Italy, 29-7 July. DOI: 10.3254/978-1-61499-662-0-217

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Jungblut, S & Dellago, C 2016, 'Pathways to self-organization: Crystallization via nucleation and growth' European Physical Journal E. Soft Matter, vol. 39, no. 8, 77. DOI: 10.1140/epje/i2016-16077-6

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Müller, K, Osterman, N, Babic, D, Likos, CN, Dobnikar, J & Nikoubashman, A 2014, 'Pattern Formation and Coarse-Graining in Two-Dimensional Colloids Driven by Multiaxial Magnetic Fields' Langmuir: the A C S journal of surfaces and colloids, vol. 30, no. 18, pp. 5088-5096. DOI: 10.1021/la500896e

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Grünwald, M & Geissler, PL 2014, 'Patterns without Patches: Hierarchical Self-Assembly of Complex Structures from Simple Building Blocks' ACS Nano, vol. 8, no. 6, pp. 5891-5897. DOI: 10.1021/nn500978p

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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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Coluzza, I, Creamean, J, Rossi, MJ, Wex, H, Alpert, PA, Bianco, V, Boose, Y, Dellago, C, Felgitsch, L, Froehlich-Nowoisky, J, Herrmann, H, Jungblut, S, Kanji, ZA, Menzl, G, Moffett, B, Moritz, C, Mutzel, A, Poeschl, U, Schauperl, M, Scheel, J, Stopelli, E, Stratmann, F, Grothe, H & Schmale, DG 2017, 'Perspectives on the Future of Ice Nucleation Research: Research Needs and Unanswered Questions Identified from Two International Workshops' Atmosphere, vol. 8, no. 8, 138. DOI: 10.3390/atmos8080138

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Sega, M & Hantal, G 2017, 'Phase and interface determination in computer simulations of liquid mixtures with high partial miscibility' Physical Chemistry Chemical Physics - PCCP, vol. 19, no. 29, pp. 18968-18974. DOI: 10.1039/c7cp02918g

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Lo Verso, FG, Panagiotopoulos, A & Likos, C 2010, 'Phase behavior of low-functionality, telechelic star block copolymers' Faraday Discussions, vol. 144, pp. 143-157. DOI: 10.1039/b905073f

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Koch, C, Panagiotopoulos, AZ, Lo Verso, F & Likos, CN 2013, 'Phase behavior of rigid, amphiphilic star polymers' Soft Matter, vol. 9, no. 31, pp. 7424-7436. DOI: 10.1039/c3sm51135a

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Theodorakis, P & Fytas, NG 2011, 'Phase behavior of symmetric linear multiblock copolymers' Europhysics Letters, vol. 93, no. 4, 43001. DOI: 10.1209/0295-5075/93/43001

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Menzl, G, Köfinger, J & Dellago, C 2012, 'Phase Transition and Interpore Correlations of Water in Nanopore Membranes' Physical Review Letters, vol. 109, no. 2, 020602. DOI: 10.1103/PhysRevLett.109.020602

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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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Minina, ES, Blaak, R & Kantorovich, SS 2018, 'Pressure and compressibility factor of bidisperse magnetic fluids' Journal of Physics: Condensed Matter, vol. 30, no. 14, 145101. DOI: 10.1088/1361-648X/aab137

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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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Likos, C & Blaak, R 2018, 'Self-assembly of magnetically functionalized star-polymer nano-colloids' European Physical Journal E. Soft Matter, vol. 41, no. 1, 3. DOI: 10.1140/epje/i2018-11614-y

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Rozhkov, D, Pyanzina, ES, Novak, E, Cerdà, JJ, Sintes, T, Ronti, M, Sánchez, PA & Kantorovich, S 2018, 'Self-assembly of polymer-like structures of magnetic colloids: Langevin dynamics study of basic topologies' Molecular Simulation, vol. 44, no. 6, pp. 507-515. 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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Rossi, L, Donaldson, JG, Meijer, J-M, Petukhov, AV, Kleckner, D, Kantorovich, SS, Irvine, WTM, Philipse, AP & Sacanna, S 2018, 'Self-organization in dipolar cube fluids constrained by competing anisotropies' Soft Matter, vol. 14, no. 7, pp. 1080-1087. DOI: 10.1039/c7sm02174g

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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, 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, 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, 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, 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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