Publications


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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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Ferrari, S, Kahl, G & Bianchi, E 2018, 'Molecular dynamics simulations of inverse patchy colloids' European Physical Journal E. Soft Matter, vol. 41, no. 3, 43. DOI: 10.1140/epje/i2018-11647-2

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Menzl, G, Gonzalez, MA, Geiger, P, Caupin, F, Abascal, JLF, Valeriani, C & Dellago, C 2016, 'Molecular mechanism for cavitation in water under tension' Proceedings of the National Academy of Sciences of the United States of America (PNAS), vol. 113, no. 48, pp. 13582-13587. DOI: 10.1073/pnas.1608421113

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Tröster, A 2009, 'Momentum-shell renormalization-group flow from simulation' Physical Review E, vol. 79, no. 3, 036707. DOI: 10.1103/PhysRevE.79.036707

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Lenz, DA, Mladek, BM, Likos, C, Kahl, G & Blaak, R 2011, 'Monomer-Resolved Simulations of Cluster-Forming Dendrimers' The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol. 115, no. 22, pp. 7218-7226. DOI: 10.1021/jp109132m

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Tröster, A 2008, 'Monte Carlo Simulation in Fourier Space' Computer Physics Communications, vol. 179, no. 1-3, pp. 30-33. DOI: 10.1016/j.cpc.2008.01.007

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Theodorakis, P & Fytas, NG 2012, 'Monte Carlo study of the triangular Blume-Capel model under bond randomness' Physical Review E, vol. 86, no. 1, 011140. DOI: 10.1103/PhysRevE.86.011140

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Narros, A, Likos, CN, Moreno, AJ & Capone, B 2014, 'Multi-blob coarse graining for ring polymer solutions' Soft Matter, vol. 10, no. 48, pp. 9601-9614. DOI: 10.1039/c4sm01904k

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Locatelli, E, Capone, B & Likos, CN 2016, 'Multiblob coarse-graining for mixtures of long polymers and soft colloids' Journal of Chemical Physics, vol. 145, no. 17, 174901. DOI: 10.1063/1.4965957

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Donaldson, JG, Pyanzina, ES & Kantorovich, SS 2017, 'Nanoparticle Shape Influences the Magnetic Response of Ferro-Colloids' ACS Nano, vol. 11, no. 8, pp. 8153-8166. DOI: 10.1021/acsnano.7b03064

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Zhou, Q, Wang, B, Wang, P, Dellago, C, Wang, Y & Fang, Y 2013, 'Nanoparticle-based crystal growth via multistep self-assembly' CrystEngComm, vol. 15, no. 25, pp. 5114-5118. DOI: 10.1039/c3ce40497h

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Thirring, W, Narnhofer, H & Posch, H 2003, 'Negative Specific Heat, the Thermodynamic Limit, and Ergodicity' Physical Review Letters, vol. 91, no. 13, 130601. DOI: 10.1103/PhysRevLett.91.130601

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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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Vesely, FJ 2014, 'Nematic-smectic transition of parallel hard spheroellipsoids' Journal of Chemical Physics, vol. 141, no. 6, 064109. DOI: 10.1063/1.4892378

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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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Geiger, P & Dellago, C 2013, 'Neural networks for local structure detection in polymorphic systems' Journal of Chemical Physics, vol. 139, no. 16, 164105. DOI: 10.1063/1.4825111

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Bafile, U, Celli, M, Colognesi, D, Zoppi, M, Guarini, E, De Francesco, A, Formisano, F & Neumann, M 2012, 'Neutron study of non-Gaussian self dynamics in liquid parahydrogen' Journal of Physics: Conference Series, vol. 340, 012076. DOI: 10.1088/1742-6596/340/1/012076

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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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Wirnsberger, P, Fijan, D, Saric, A, Neumann, M, Dellago, C & Frenkel, D 2016, 'Non-equilibrium simulations of thermally induced electric fields in water' Journal of Chemical Physics, vol. 144, no. 22, 224102. DOI: 10.1063/1.4953036

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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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Celli, M, Bafile, U, Colognesi, D, De Francesco, A, Formisano, F, Guarini, E, Neumann, M & Zoppi, M 2011, 'Non-Gaussian self-dynamics of liquid hydrogen' Physical Review B, vol. 84, no. 14, 140510(R). DOI: 10.1103/PhysRevB.84.140510

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Bianco, V & Malgaretti, P 2016, 'Non-monotonous polymer translocation time across corrugated channels: Comparison between Fick-Jacobs approximation and numerical simulations' Journal of Chemical Physics, vol. 145, no. 11, 114904. DOI: 10.1063/1.4961697

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Sega, M, Fabian, B & Jedlovszky, P 2017, 'Nonzero Ideal Gas Contribution to the Surface Tension of Water' The Journal of Physical Chemistry Letters, vol. 8, no. 12, pp. 2608-2612. DOI: 10.1021/acs.jpclett.7b01024

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Grünwald, M & Dellago, C 2009, 'Nucleation and growth in structural transformations of nanocrystals' Nano Letters: a journal dedicated to nanoscience and nanotechnology, vol. 9, no. 5, pp. 2099-2102. DOI: 10.1021/nl900609d

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Leitold, C & Dellago, C 2016, 'Nucleation and structural growth of cluster crystals' Journal of Chemical Physics, vol. 145, no. 7, 074504. DOI: 10.1063/1.4960958

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Wirnsberger, P, Fijan, D, Lightwood, RA, Šarić, A, Dellago, C & Frenkel, D 2017, 'Numerical evidence for thermally induced monopoles' Proceedings of the National Academy of Sciences of the United States of America (PNAS), vol. 114, no. 19, pp. 4911-4914. DOI: 10.1073/pnas.1621494114

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Vesely, FJ 2013, 'Of pendulums, polymers, and robots: Computational mechanics with constraints' American Journal of Physics, vol. 81, no. 7, pp. 537-544. DOI: 10.1119/1.4803533

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Lechner, W & Dellago, C 2007, 'On the efficiency of path sampling methods for the calculation of free energies from non-equilibrium simulations' Journal of Statistical Mechanics: Theory and Experiment, vol. 2007, no. 4, P04001. DOI: 10.1088/1742-5468/2007/04/P04001

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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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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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Jungblut, S, Singraber, A & Dellago, C 2013, 'Optimising reaction coordinates for crystallisation by tuning the crystallinity definition' Molecular Physics: an international journal in the field of chemical physics, vol. 111, no. 22-23, pp. 3527-3533. DOI: 10.1080/00268976.2013.832820

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Borrero, EE, Weinwurm, M & Dellago, C 2011, 'Optimizing transition interface sampling simulations' Journal of Chemical Physics, vol. 134, no. 24, 244118. DOI: 10.1063/1.3601919

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Tröster, A 2010, 'Optimizing Wilson's momentum shell renormalization group' Physical Review B, vol. 81, no. 12, 125135. DOI: 10.1103/PhysRevB.81.125135

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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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Geiger, P & Dellago, C 2010, 'Optimum protocol for fast-switching free-energy calculations' Physical Review E, vol. 81, no. 2, 021127. DOI: 10.1103/PhysRevE.81.021127

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Köfinger, J & Dellago, C 2009, 'Orientational dynamics and dielectric response of nanopore water' Physical Review Letters, vol. 103, no. 8, 080601. DOI: 10.1103/PhysRevLett.103.080601

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Bosetti, H & Posch, H 2013, 'Orthogonal versus covariant Lyapunov vectors for rough hard disc systems' Journal of Physics A: Mathematical and Theoretical, vol. 46, no. 25, 254011. DOI: 10.1088/1751-8113/46/25/254011

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Trukhina, Y, Jungblut, S, van der Schoot, P & Schilling, T 2009, 'Osmotic compression of droplets of hard rods: A computer simulation study' Journal of Chemical Physics, vol. 130, no. 16, 164513. DOI: 10.1063/1.3117924

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Wilk, A, Huißmann, S, Stiakakis, E, Kohlbrecher, J, Vlassopoulos, D, Likos, C, Meier, G, Dhont, JKG, Petekidis, G & Vavrin, R 2010, 'Osmotic shrinkage in star/linear polymer mixtures' European Physical Journal E. Soft Matter, vol. 32, no. 2, pp. 127-134. DOI: 10.1140/epje/i2010-10607-2

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Borrero, EE & Dellago, C 2010, 'Overcoming barriers in trajectory space: Mechanism and kinetics of rare events via Wang-Landau enhanced transition path sampling' Journal of Chemical Physics, vol. 133, no. 13, 134112. DOI: 10.1063/1.3496376

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Bianchi, E, Blaak, R & Likos, C 2011, 'Patchy colloids: state of the art and perspectives' Physical Chemistry Chemical Physics - PCCP, vol. 13, no. 14, pp. 6397-6410. DOI: 10.1039/C0CP02296A

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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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