Publications


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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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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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Sega, M 2016, 'The role of a small-scale cutoff in determining molecular layers at fluid interfaces' Physical Chemistry Chemical Physics - PCCP, vol 18, no. 33, pp. 23354-23357. DOI: 10.1039/c6cp04788b

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Sega, M, Fabian, B, Horvai, G & Jedlovszky, P 2016, 'How Is the Surface Tension of Various Liquids Distributed along the Interface Normal?' The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), vol 120, no. 48, pp. 27468-27477. DOI: 10.1021/acs.jpcc.6b09880

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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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Sega, M, Kantorovich, SS, Jedlovszky, P & Jorge, M 2013, 'The generalized identification of truly interfacial molecules (ITIM) algorithm for nonplanar interfaces' Journal of Chemical Physics, vol 138, no. 4, 044110. DOI: 10.1063/1.4776196

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Sega, M, Kantorovich, SS, Holm, C & Arnold, A 2014, 'Communication: Kinetic and pairing contributions in the dielectric spectra of electrolyte solutions' Journal of Chemical Physics, vol 140, no. 21, 211101. DOI: 10.1063/1.4880237

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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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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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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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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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Shabbir, H & Hartmann, M 2017, 'Influence of reversible cross-link coordination on the mechanical behavior of a linear polymer chain' New Journal of Physics, vol 19, 093024. DOI: 10.1088/1367-2630/aa87d2

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Sindt, JO, Camp, PJ, Kantorovich, SS, Elfimova, EA & Ivanov, AO 2016, 'Influence of dipolar interactions on the magnetic susceptibility spectra of ferrofluids' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 93, no. 6, 063117. DOI: 10.1103/PhysRevE.93.063117

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Snodin, BEK, Romano, F, Rovigatti, L, Ouldridge, TE, Louis, AA & Doye, JPK 2016, 'Direct Simulation of the Self-Assembly of a Small DNA Origami' ACS Nano, vol 10, no. 2, pp. 1724-1737. DOI: 10.1021/acsnano.5b05865

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Steinbach, G, Nissen, D, Albrecht, M, Novak, E, Sanchez, PA, Kantorovich, S, Gemming, S & Erbe, A 2016, 'Bistable self-assembly in homogeneous colloidal systems for flexible modular architectures' Soft Matter, vol 12, no. 10, pp. 2737-2743. DOI: 10.1039/C5SM02899J

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Theodorakis, P & Fytas, G 2011, 'Wang-Landau study of the 3D Ising model with bond disorder' European Physical Journal B. Condensed Matter, vol 81, no. 2, pp. 245-251. DOI: 10.1140/epjb/e2011-20091-4

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Theodorakis, P, Paul, W & Binder, K 2011, 'Analysis of the cluster formation in two-component cylindrical bottle-brush polymers under poor solvent conditions. A simulation study' European Physical Journal E. Soft Matter, vol 34, no. 5, 52. DOI: 10.1140/epje/i2011-11052-5

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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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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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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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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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Theodorakis, P & Fytas, G 2012, 'A study for the static properties of symmetric linear multiblock copolymers under poor solvent conditions' Journal of Chemical Physics, vol 136, no. 9, 094902. DOI: 10.1063/1.3689303

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Theodorakis, P, Hsu, H-P, Paul, W & Binder, K 2011, 'Computer simulation of bottle-brush polymers with flexible backbone: Good solvent versus theta solvent conditions' Journal of Chemical Physics, vol 135, no. 16, 164903. DOI: 10.1063/1.3656072

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Theodorakis, P, Dellago, C & Kahl, G 2013, 'A coarse-grained model for DNA-functionalized spherical colloids, revisited: Effective pair potential from parallel replica simulations' Journal of Chemical Physics, vol 138, no. 2, 025101. DOI: 10.1063/1.4773920

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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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Torres-Dias, AC, Cerqueira, TFT, Cui, W, Marques, MAL, Botti, S, Machon, D, Hartmann, MA, Sun, Y, Dunstan, DJ & San-Miguel, A 2017, 'From mesoscale to nanoscale mechanics in single-wall carbon nanotubes' Carbon, vol 123, pp. 145-150. DOI: 10.1016/j.carbon.2017.07.036

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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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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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Tröster, A 2008, 'Evidence for Fisher renormalization in the compressible phi(4)-model' Physical Review Letters, vol 100, no. 14, 140602. DOI: 10.1103/PhysRevLett.100.140602

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Tröster, A & Dellago, C 2010, 'The Fourier Monte Carlo Approach to Lattice Spin Models' Physics Procedia, vol 6, pp. 106-116. DOI: 10.1016/j.phpro.2010.09.035

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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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Tröster, A 2007, 'Coarse grained free energies with gradient corrections from Monte Carlo simulations in Fourier space' Physical Review B (Condensed Matter and Materials Physics), vol 76, no. 1, 012402. DOI: 10.1103/PhysRevB.76.012402

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Tröster, A & Dellago, C 2007, 'Coarse graining the phi 4 model: Landau-Ginzburg potentials from computer simulations' Ferroelectrics, vol 354, no. 1, pp. 225-237. DOI: 10.1080/00150190701454982

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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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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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Truzzolillo, D, Marzi, D, Marakis, J, Capone, B, Camargo, M, Munam, A, Moingeon, F, Gauthier, M, Likos, CN & Vlassopoulos, D 2013, 'Glassy States in Asymmetric Mixtures of Soft and Hard Colloids' Physical Review Letters, vol 111, no. 20, 208301. DOI: 10.1103/PhysRevLett.111.208301

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van Meel, JA & Posch, H 2009, 'Lyapunov instability of rough hard-disk fluids' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 80, 016206. DOI: 10.1103/PhysRevE.80.016206

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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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Varga, S & Vesely, F 2009, 'A new generic model potential for mesogenic systems: Square well line potential of variable range' Journal of Chemical Physics, vol 131, 194506. DOI: 10.1063/1.3264109

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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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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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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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Vlugt, TJH, Dellago, C & Smit, B 2000, 'Diffusion of isobutane in silicalite studied by transition path sampling' Journal of Chemical Physics, vol 113, no. 19, pp. 8791-8799. DOI: 10.1063/1.1318771

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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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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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Voyiatzis, E & Böhm, MC 2016, 'How does the entropy of ternary polymer-solvent-cosolvent mixtures depend on the molar solvent fraction?' RSC Advances , vol 6, no. 99, pp. 97018-97021. DOI: 10.1039/c6ra23340f

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Wang, Y, Teitel, S & Dellago, C 2007, 'Effect of Surface Structure on Shape Transformations of Gold Nanorods' Journal of Computational and Theoretical Nanoscience, vol 4, no. 2, pp. 282-290. DOI: 10.1166/jctn.2007.013

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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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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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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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