Publications


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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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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 (Statistical, Nonlinear, and Soft Matter Physics), 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 (Statistical, Nonlinear, and Soft Matter Physics), 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 (Condensed Matter and Materials Physics), 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 (Condensed Matter and Materials Physics), 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 (Statistical, Nonlinear, and Soft Matter Physics), 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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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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