Publications


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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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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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Geissler, PL, Dellago, C, Chandler, D, Hutter, J & Parrinello, MT 2000, 'Ab initio analysis of proton transfer dynamics in (H2O)3H+' Chemical Physics Letters, vol 321, no. 3-4, pp. 225-230. DOI: 10.1016/S0009-2614(00)00381-X

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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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Geissler, PL, Dellago, C, Chandler, D, Hutter, J & Parrinello, MT 2001, 'Autoionization in liquid water' Science, vol 291, no. 5511, pp. 2121-2124. DOI: 10.1126/science.1056991

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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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Gieseler, J, Quidant, R, Dellago, C & Novotny, L 2014, 'Dynamic relaxation of a levitated nanoparticle from a non-equilibrium steady state' Nature Nanotechnology, vol 9, no. 5, pp. 358-364. DOI: 10.1038/NNANO.2014.40

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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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Gonzalez, MA, Menzl, G, Aragones, JL, Geiger, P, Caupin, F, Abascal, JLF, Dellago, C & Valeriani, C 2014, 'Detecting vapour bubbles in simulations of metastable water' Journal of Chemical Physics, vol 141, no. 18, 18C511. DOI: 10.1063/1.4896216

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Gruenewald, TA, Lassenberger, A, van Oostrum, PDJ, Rennhofer, H, Zirbs, R, Capone, B, Vonderhaid, I, Amenitsch, H, Lichtenegger, HC & Reimhult, E 2015, 'Core-Shell Structure of Monodisperse Poly(ethylene glycol)-Grafted Iron Oxide Nanoparticles Studied by Small-Angle X-ray Scattering' Chemistry of Materials, vol 27, no. 13, pp. 4763-4771. DOI: 10.1021/acs.chemmater.5b01488

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Grünwald, M, Jungblut, S & Dellago, C 2012, Transition Path Sampling of Phase Transitions - Nucleation and Growth in Materials Hard and Soft. in Hierarchical Methods for Dynamics in Complex Molecular Systems: IAS Winter School, 5 - 9 March 2012 Forschungszentrum Jülich GmbH Lecture Notes. Forschungszentrum Jülich GmbH, pp. 47-80, IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems, Jülich, Germany, 5-9 March.

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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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Grünwald, M, Dellago, C & Geissler, PL 2007, 'An efficient transition path sampling algorithm for nanoparticles under pressure' Journal of Chemical Physics, vol 127, 154718. DOI: 10.1063/1.2790431

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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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Grünwald, M & Dellago, C 2009, Transition Path Sampling Studies of Solid-Solid Transformations in Nanocrystals under Pressure. in T Dumitrica (ed.), Trends in Computational Nanomechanics: Transcending Length and Time Scales. Challenges and Advances in Computational Chemistry and Physics, vol. 9, Springer, pp. 61-84. DOI: 10.1007/978-1-4020-9785-0_3

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Grünwald, M & Dellago, C 2009, 'Transition state analysis of solid-solid transformations in nanocrystals' Journal of Chemical Physics, vol 131, 164116. DOI: 10.1063/1.3253700

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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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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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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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Gupta, S, Camargo, M, Stellbrink, J, Allgaier, J, Radulescu, A, Lindner, P, Zaccarelli, E, Likos, CN & Richter, D 2015, 'Dynamic phase diagram of soft nanocolloids' Nanoscale, vol 7, no. 33, pp. 13924-13934. DOI: 10.1039/c5nr03702f

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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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Hanel, C, Likos, CN & Blaak, R 2014, 'Effective Interactions between Multilayered Ionic Microgels' Materials - Open Access Journal, vol 7, no. 12, pp. 7689-7705. DOI: 10.3390/ma7127689

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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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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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Hasnain, J, Jungblut, S & Dellago, C 2015, 'Dynamical phases of attractive particles sliding on a structured surface' Journal of Physics: Condensed Matter, vol 27, no. 19, 194122. DOI: 10.1088/0953-8984/27/19/194122

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Hasnain, J, Jungblut, S & Dellago, C 2013, 'Dynamic phases of colloidal monolayers sliding on commensurate substrates' Soft Matter, vol 9, no. 25, pp. 5867-5873. DOI: 10.1039/c3sm50458a

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Hasnain, J, Menzl, G, Jungblut, S & Dellago, C 2017, 'Crystallization and flow in active patch systems' Soft Matter, vol 13, no. 5, pp. 930-936. DOI: 10.1039/c6sm01898j

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Hasnain, J, Jungblut, S, Troester, A & Dellago, C 2014, 'Frictional dynamics of stiff monolayers: from nucleation dynamics to thermal sliding' Nanoscale, vol 6, no. 17, pp. 10161-10168. DOI: 10.1039/c4nr01790k

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Hod, M, Dobroserdova, AB, Samin, S, Dobbrow, C, Schmidt, AM, Gottlieb, M & Kantorovich, S 2017, 'Dilution effects on combined magnetic and electric dipole interactions: A study of ferromagnetic cobalt nanoparticles with tuneable interactions' Journal of Chemical Physics, vol 147, no. 8, 084901. DOI: 10.1063/1.4995428

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Holec, D, Zhou, L, Riedl, H, Koller, CM, Mayrhofer, PH, Friák, M, Šob, M, Körmann, F, Neugebauer, J, Music, D, Hartmann, MA & Fischer, FD 2017, 'Atomistic Modeling-Based Design of Novel Materials' Advanced Engineering Materials, vol 19, no. 4, 1600688. DOI: 10.1002/adem.201600688

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Hoover, WG, Hoover, CG, Posch, H & Codelli, JA 2007, 'The second law of thermodynamics and multifractal distribution functions: Bin counting, pair correlations, and the Kaplan-Yorke conjecture' Communications in Nonlinear Science and Numerical Simulation, vol 12, no. 2, pp. 214-231. DOI: 10.1016/j.cnsns.2005.02.002

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Huißmann, S, Likos, C & Blaak, R 2010, 'Conformations of high-generation dendritic polyelectrolytes' Journal of Materials Chemistry, vol 20, no. 46, pp. 10486-10494. DOI: 10.1039/C0JM01584A

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Huißmann, S, Likos, C & Blaak, R 2012, 'Explicit vs Implicit Water Simulations of Charged Dendrimers' Macromolecules, vol 45, no. 5, pp. 2562-2569. DOI: 10.1021/ma202520d

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Huißmann, S, Likos, C & Blaak, R 2011, 'Effective interactions between charged dendrimers' Soft Matter, vol 7, no. 18, pp. 8419-8427. DOI: 10.1039/c1sm05516j

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Huißmann, S, Wynveen, A, Likos, C & Blaak, R 2010, 'The effects of pH, salt and bond stiffness on charged dendrimers' Journal of Physics: Condensed Matter, vol 22, no. 23, 232101. DOI: 10.1088/0953-8984/22/23/232101

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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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Ivanov, AO, Kantorovich, S, Zverev, VS, Elfimova, EA, Lebedev, AV & Pshenichnikov, AF 2016, 'Temperature-dependent dynamic correlations in suspensions of magnetic nanoparticles in a broad range of concentrations: a combined experimental and theoretical study' Physical Chemistry Chemical Physics - PCCP, vol 18, no. 27, pp. 18342-18352. DOI: 10.1039/C6CP02793H

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Ivanov, AO, Kantorovich, SS, Rovigatti, L, Tavares, JM & Sciortino, F 2015, 'Low temperature structural transitions in dipolar hard spheres: The influence on magnetic properties' Journal of Magnetism and Magnetic Materials, vol 383, pp. 272-276. DOI: 10.1016/j.jmmm.2014.10.013

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Ivanov, AO, Kantorovich, SS, Elfimova, EA, Zverev, VS, Sindt, JO & Camp, PJ 2017, 'The influence of interparticle correlations and self-assembly on the dynamic initial magnetic susceptibility spectra of ferrofluids' Journal of Magnetism and Magnetic Materials, vol 431, pp. 141-144. DOI: 10.1016/j.jmmm.2016.09.119

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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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Jehser, M & Likos, C 2017, Closing a Gap -Polymer Ring Brushes pushed together: a DPD simulation study. in Conference Book. pp. 4.008, Liquids 2017, Ljubljana, Slovenia, 17-21 July.

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Jehser, M & Likos, C 2016, DPD study of Polymer Loops and Tails attached to a Surface. in Book of Abstracts. pp. P01-178, 4th International Soft Matter Conference (ISMC2016), Grenoble, France, 12-16 September.

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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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Jungblut, S & Dellago, C 2011, 'Heterogeneous crystallization on tiny clusters' Europhysics Letters, vol 96, no. 5, 56006. DOI: 10.1209/0295-5075/96/56006

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Jungblut, S & Dellago, C 2011, 'Crystallization of a binary Lennard-Jones mixture' Journal of Chemical Physics, vol 134, no. 10, 104501. DOI: 10.1063/1.3556664

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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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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 & 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 2013, 'Crystallization on prestructured seeds' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 87, no. 1, 012305. DOI: 10.1103/PhysRevE.87.012305

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Jungblut, S & Dellago, C 2016, 'Heterogeneous Crystallization on Pairs of Pre-Structured Seeds' The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol 120, no. 34, pp. 9230-9239. DOI: 10.1021/acs.jpcb.6b06510

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