Publications


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346 Results
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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Nerattini, F, Chelli, R & Procacci, P 2016, 'II. Dissociation free energies in drug-receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands' Physical Chemistry Chemical Physics - PCCP, vol 18, no. 22, pp. 15005-15018. DOI: 10.1039/c5cp05521k

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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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Jain, V, Gieseler, J, Moritz, C, Dellago, C, Quidant, R & Novotny, L 2016, 'Direct Measurement of Photon Recoil from a Levitated Nanoparticle' Physical Review Letters, vol 116, no. 24, 243601. DOI: 10.1103/PhysRevLett.116.243601

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Guarini, E, Neumann, M, Bafile, U, Celli, M, Colognesi, D, Bellissima, S, Farhi, E & Calzavara, Y 2016, 'Velocity autocorrelation by quantum simulations for direct parameter-free computations of the neutron cross sections. II. Liquid deuterium' Physical Review B (Condensed Matter and Materials Physics), vol 93, no. 22, 224302. DOI: 10.1103/PhysRevB.93.224302

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Najafi, S, Tubiana, L, Podgornik, R & Potestio, R 2016, 'Chirality modifies the interaction between knots' Europhysics Letters, vol 114, no. 5, 50007. DOI: 10.1209/0295-5075/114/50007

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Lenz, DA, Mladek, B, Likos, CN & Blaak, R 2016, 'Thermodynamic stability and structural properties of cluster crystals formed by amphiphilic dendrimers' Journal of Chemical Physics, vol 144, no. 20, 204901. DOI: 10.1063/1.4950953

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Cerdà, JJ, Sánchez, PA, Lüsebrink, D, Kantorovich, S & Sintes, T 2016, 'Flexible magnetic filaments under the influence of external magnetic fields in the limit of infinite dilution' Physical Chemistry Chemical Physics - PCCP, vol 18, pp. 12616-12625. DOI: 10.1039/C6CP00923A

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Mahynski, NA, Rovigatti, L, Likos, CN & Panagiotopoulos, AZ 2016, 'Bottom-Up Colloidal Crystal Assembly with a Twist' ACS Nano, vol 10, no. 5, pp. 5459-5467. DOI: 10.1021/acsnano.6b01854

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Biagi, S, Rovigatti, L, Sciortino, F & Misbah, C 2016, 'Surface wave excitations and backflow effect over dense polymer brushes' Scientific Reports, vol 6, 22257. DOI: 10.1038/srep22257

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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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Sánchez, PA, Smiatek, J, Qiao, B, Sega, M & Holm, C 2016, Atomistic simulation of oligoelectrolyte multilayers growth. in WE Nagel, DH Kröner & MM Resch (eds), High Performance Computing in Science and Engineering '15: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015. Springer, pp. 215-228. DOI: 10.1007/978-3-319-24633-8_14

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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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Sánchez, PA, Pyanzina, ES, Novak, EV, Cerdà, JJ, Sintes, T & Kantorovich, SS 2016, 'Magnetic filament brushes: tuning the properties of a magnetoresponsive supramolecular coating' Faraday Discussions, vol 186, pp. 241-263. DOI: 10.1039/C5FD00133A

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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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Potestio, R & Tubiana, L 2016, 'Discretized knot motion on a tensioned fiber induced by transverse waves' Soft Matter, vol 12, no. 3, pp. 669-673. DOI: 10.1039/c5sm01766a

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Nabavi, SS & Hartmann, MA 2016, 'Weak reversible cross links may decrease the strength of aligned fiber bundles' Soft Matter, vol 12, no. 7, pp. 2047-2055. DOI: 10.1039/c5sm02614h

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Poier, P, Bacova, P, Moreno, AJ, Likos, CN & Blaak, R 2016, 'Anisotropic effective interactions and stack formation in mixtures of semiflexible ring polymers' Soft Matter, vol 12, no. 21, pp. 4805-4820. DOI: 10.1039/c6sm00430j

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Poier, P, Egorov, SA, Likos, CN & Blaak, R 2016, 'Concentration-induced planar-to-homeotropic anchoring transition of stiff ring polymers on hard walls' Soft Matter, vol 12, no. 38, pp. 7983-7994. DOI: 10.1039/c6sm01453d

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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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Likos, CN 2016, Depletion interactions on soft colloids: Glass formation, melting and demixing. 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. 57-80, International School of Physics Enrico Fermi, Italy, 29-7 July. DOI: 10.3254/978-1-61499-662-0-57

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Kantorovich, SS & Ivanov, AO 2016, The influence of self-assembly on the magnetic response of dipolar soft systems. 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. 137-163, International School of Physics Enrico Fermi, Italy, 29-7 July. DOI: 10.3254/978-1-61499-662-0-137

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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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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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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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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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Perfumi, S, Cardelli, C, Bagnoli, F & Guazzini, A 2016, Conformity in Virtual Environments: A Hybrid Neurophysiological and Psychosocial Approach. in Internet Science: Third International Conference, INSCI 2016, Florence, Italy, September 12-14, 2016, Proceedings. Lecture Notes in Computer Science, vol. 9934, Springer International Publishing AG, pp. 148-157. DOI: 10.1007/978-3-319-45982-0_14

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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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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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Nikoubashman, A, Mahynski, NA, Capone, B, Panagiotopoulos, AZ & Likos, CN 2015, 'Coarse-graining and phase behavior of model star polymer-colloid mixtures in solvents of varying quality' Journal of Chemical Physics, vol 143, no. 24, 243108. DOI: 10.1063/1.4931410

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Hantal, G, Sega, M, Kantorovich, S, Schroeder, C & Jorge, M 2015, 'Intrinsic Structure of the Interface of Partially Miscible Fluids: An Application to Ionic Liquids' The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), vol 119, no. 51, pp. 28448-28461. DOI: 10.1021/acs.jpcc.5b09810

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Lauricella, M, Pontrelli, G, Coluzza, I, Pisignano, D & Succi, S 2015, 'JETSPIN: A specific-purpose open-source software for simulations of nanofiber electrospinning' Computer Physics Communications, vol 197, pp. 227-238. DOI: 10.1016/j.cpc.2015.08.013

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Riest, J, Athanasopoulou, L, Egorov, SA, Likos, CN & Ziherl, P 2015, 'Elasticity of polymeric nanocolloidal particles' Scientific Reports, vol 5, 15854. DOI: 10.1038/srep15854

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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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Bellissima, S, Neumann, M, Guarini, E, Bafile, U & Barocchi, F 2015, 'Time dependence of the velocity autocorrelation function of a fluid: An eigenmode analysis of dynamical processes' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 92, no. 4, 042166. DOI: 10.1103/PhysRevE.92.042166

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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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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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Lauricella, M, Pontrelli, G, Coluzza, I, Pisignano, D & Succi, S 2015, 'Different regimes of the uniaxial elongation of electrically charged viscoelastic jets due to dissipative air drag' Mechanics research communications, vol 69, pp. 97-102. DOI: 10.1016/j.mechrescom.2015.06.014

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Wirnsberger, P, Frenkel, D & Dellago, C 2015, 'An enhanced version of the heat exchange algorithm with excellent energy conservation properties' Journal of Chemical Physics, vol 143, no. 12, 124104. DOI: 10.1063/1.4931597

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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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Colla, T & Likos, CN 2015, 'Effective interactions in polydisperse systems of penetrable macroions' Molecular Physics: an international journal in the field of chemical physics, vol 113, no. 17-18, pp. 2496-2510. DOI: 10.1080/00268976.2015.1026295

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Coluzza, I 2015, 'Constrained versus unconstrained folding free-energy landscapes' Molecular Physics: an international journal in the field of chemical physics, vol 113, no. 17-18, pp. 2905-2912. DOI: 10.1080/00268976.2015.1043031

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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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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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Gupta, S, Stellbrink, J, Zaccarelli, E, Likos, CN, Camargo, M, Holmqvist, P, Allgaier, J, Willner, L & Richter, D 2015, 'Validity of the Stokes-Einstein Relation in Soft Colloids up to the Glass Transition' Physical Review Letters, vol 115, no. 12, 128302. DOI: 10.1103/PhysRevLett.115.128302

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Guarini, E, Neumann, M, Bafile, U, Celli, M, Colognesi, D, Farhi, E & Calzavara, Y 2015, 'Velocity autocorrelation in liquid parahydrogen by quantum simulations for direct parameter-free computations of neutron cross sections' Physical Review B (Condensed Matter and Materials Physics), vol 92, no. 10, 104303. DOI: 10.1103/PhysRevB.92.104303

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Coluzza, I, Jackson, SE, Micheletti, C & Miller, MA 2015, 'Knots in soft condensed matter Preface' Journal of Physics: Condensed Matter, vol 27, no. 35, 350301. DOI: 10.1088/0953-8984/27/35/350301

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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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Poier, P, Likos, CN, Moreno, AJ & Blaak, R 2015, 'An Anisotropic Effective Model for the Simulation of Semiflexible Ring Polymers' Macromolecules, vol 48, no. 14, pp. 4983-4997. DOI: 10.1021/acs.macromol.5b00603

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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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