Publications


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Colla, T, Likos, CN & Levin, Y 2014, 'Equilibrium properties of charged microgels: A Poisson-Boltzmann-Flory approach' Journal of Chemical Physics, vol 141, no. 23, 234902. DOI: 10.1063/1.4903746

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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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Colognesi, D, Bafile, U, Celli, M, Neumann, M & Orecchini, A 2015, 'Hydrogen self-dynamics in liquid H-2-D-2 mixtures studied through inelastic neutron scattering' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 92, no. 1, 012311. DOI: 10.1103/PhysRevE.92.012311

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Coluzza, I 2011, 'A Coarse-Grained Approach to Protein Design: Learning from Design to Understand Folding' PLoS ONE, vol 6, no. 7, e20853. DOI: 10.1371/journal.pone.0020853

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Coluzza, I 2014, 'Transferable Coarse-Grained Potential for De Novo Protein Folding and Design' PLoS ONE, vol 9, no. 12, e112852. DOI: 10.1371/journal.pone.0112852

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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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Coluzza, I, Capone, B & Hansen, J-P 2011, 'Rescaling of structural length scales for "soft effective segment" representations of polymers in good solvent' Soft Matter, vol 7, no. 11, pp. 5255-5259. DOI: 10.1039/c1sm05335c

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Coluzza, I 2017, 'Computational protein design: a review' Journal of Physics: Condensed Matter, vol 29, no. 14, 143001. DOI: 10.1088/1361-648X/aa5c76

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Coluzza, I, Pisignano, D, Gentili, D, Pontrelli, G & Succi, S 2014, 'Ultrathin Fibers from Electrospinning Experiments under Driven Fast-Oscillating Perturbations' Physical Review Applied, vol 2, no. 5, 054011. DOI: 10.1103/PhysRevApplied.2.054011

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Coluzza, I, van Oostrum, P, Capone, B, Reimhult, E & Dellago, C 2013, 'Sequence Controlled Self-Knotting Colloidal Patchy Polymers' Physical Review Letters, vol 110, no. 7, 075501. DOI: 10.1103/PhysRevLett.110.075501

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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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Coluzza, I, van Oostrum, P, Capone, B, Reimhult, E & Dellago, C 2013, 'Design and Folding of Colloidal Patchy Polymers' Soft Matter, vol 9, no. 3, pp. 938-944. DOI: 10.1039/c2sm26967h

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Coluzza, I, MacDonald, JT, Sadowski, MI, Taylor, WR & Goldstein, RA 2012, 'Analytic Markovian Rates for Generalized Protein Structure Evolution' PLoS ONE, vol 7, no. 5, e4228. DOI: 10.1371/journal.pone.0034228

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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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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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Coluzza, I & Dellago, C 2012, 'The configurational space of colloidal patchy polymers with heterogeneous sequences' Journal of Physics: Condensed Matter, vol 24, no. 28, 284111. DOI: 10.1088/0953-8984/24/28/284111

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Darvas, M, Jorge, M, Cordeiro, MNDS, Kantorovich, SS, Sega, M & Jedlovszky, P 2013, 'Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations' The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol 117, no. 50, pp. 16148-16156. DOI: 10.1021/jp404699t

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De Las Heras, D, Varga, S & Vesely, F 2011, 'Mesophase formation in a system of top-shaped hard molecules: Density functional theory and Monte Carlo simulation' Journal of Chemical Physics, vol 134, no. 21, 214902. DOI: 10.1063/1.3596749

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Dellago, C, Geissler, PL, Chandler, D, Hutter, J & Parrinello, MT 2002, 'Comment on "Dissociation of water under pressure"' Physical Review Letters, vol 89, no. 19, 199601. DOI: 10.1103/PhysRevLett.89.199601

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Dellago, C & Bolhuis, PG 2007, Transition Path Sampling Simulations of Biological Systems. in M Reiher (ed.), Atomistic Approaches in Modern Biology. Topics in Current Chemistry, vol. 268, Springer, pp. 291-317. DOI: 10.1007/128_085

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Dellago, C & Hummer, G 2014, 'Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics' Entropy, vol 16, no. 1, pp. 41-61. DOI: 10.3390/e16010041

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Dellago, C & Hoover, WG 2000, 'Are local Lyapunov exponents continuous in phase space?' Physics Letters. Section A: General, Atomic and Solid State Physics, vol 268, no. 4-6, pp. 330-334. DOI: 10.1016/S0375-9601(00)00218-8

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Dellago, C & Grünwald, M 2009, 'Transition state analysis of solid-solid transformations in nanocrystals [J. Chem. Phys.131, 164116 (2009)]' Chemical Physics, vol 131, 199901. DOI: 10.1063/1.3269614

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Dellago, C, Beijeren, HV, Panja, D & Dorfman, JR 2001, 'Field-dependent collision frequency of the two-dimensional driven random Lorentz gas' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 64, no. 3 II, 36217. DOI: 10.1103/PhysRevE.64.036217

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Dellago, C & Hoover, WG 2000, 'Erratum: “Are local Lyapunov exponents continuous in phase space?” [Phys. Lett. A 268 (2000) 330–334]' Physics Letters. Section A: General, Atomic and Solid State Physics, vol 269, no. 4, pp. 261-261. DOI: 10.1016/S0375-9601(00)00262-0

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Dellago, C & Posch, H 2008, Realizing Boltzmann's dream: computer simulations in modern statistical mechanics. in G Gallavotti, WL Reiter & J Yngvason (eds), Boltzmann's Legacy. ESI Lectures in Mathematics and Physics, vol. 5, European Mathematical Society, pp. 171–201. DOI: 10.4171/057-1/12

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Dellago, C, Kahl, G & Likos, C 2012, 'The Eighth Liquid Matter Conference NARRATIVE' Journal of Physics: Condensed Matter, vol 24, no. 28, 280401. DOI: 10.1088/0953-8984/24/28/280401

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Dellago, C, Kahl, G & Likos, C 2012, 'The Eighth Liquid Matter Conference PREFACE' Journal of Physics: Condensed Matter, vol 24, no. 28, 280301. DOI: 10.1088/0953-8984/24/28/280301

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Dellago, C & Bolhuis, PG 2009, Transition Path Sampling and other Advanced Simulation Techniques for Rare Events. in C Holm & K Kremer (eds), Advanced Computer Simulation Approaches for Soft Matter Sciences. vol. III, Advances in Polymer Science, vol. 221, Springer New York LLC, pp. 167-233. DOI: 10.1007/978-3-540-87706-6_3

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Dellago, C 2007, Transition Path Sampling and the Calculation of Free Energies. in C Chipot & A Pohorille (eds), Free Energy Calculations: Theory and Applications in Chemistry and Biology. Springer Series in Chemical Physics, vol. 86, Springer, pp. 249-276. DOI: 10.1007/978-3-540-38448-9_7

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Dobroserdova, AB & Kantorovich, SS 2017, 'Self-diffusion in monodisperse three-dimensional magnetic fluids by molecular dynamics simulations' Journal of Magnetism and Magnetic Materials, vol 431, pp. 176-179. DOI: 10.1016/j.jmmm.2016.09.117

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Donaldson, JG, Pyanzina, ES, Novak, EV & Kantorovich, SS 2015, 'Anisometric and anisotropic magnetic colloids: How to tune the response' Journal of Magnetism and Magnetic Materials, vol 383, pp. 267-271. DOI: 10.1016/j.jmmm.2014.11.013

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Donaldson, JG, Linse, P & Kantorovich, SS 2017, 'How cube-like must magnetic nanoparticles be to modify their self-assembly?' Nanoscale, vol 9, no. 19, pp. 6448-6462. DOI: 10.1039/c7nr01245d

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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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Donaldson, JG & Kantorovich, SS 2015, 'Directional self-assembly of permanently magnetised nanocubes in quasi two dimensional layers' Nanoscale, vol 7, no. 7, pp. 3217-3228. DOI: 10.1039/c4nr07101h

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Eckmann, JP, Forster, C, Posch, H & Zabey, E 2005, 'Lyapunov modes in hard-disk systems' Journal of Statistical Physics, vol 118, no. 5-6, pp. 813-847. DOI: 10.1007/s10955-004-2687-4

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Egorov, SA, Paturej, J, Likos, C & Milchev, A 2013, 'Controlling the Interactions between Soft Colloids via Surface Adsorption' Macromolecules, vol 46, no. 9, pp. 3648-3653. DOI: 10.1021/ma400188s

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Eshet, H, Grünwald, M & Rabani, E 2013, 'The electronic structure of CdSe/CdS core/shell seeded nanorods: type-I or quasi-type-II?' Nano Letters: a journal dedicated to nanoscience and nanotechnology, vol 13, no. 12, pp. 5880-5885. DOI: 10.1021/nl402722n

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Fabian, B, Sega, M, Horvai, G & Jedlovszky, P 2017, 'Single Particle Dynamics at the Intrinsic Surface of Various Apolar, Aprotic Dipolar, and Hydrogen Bonding Liquids As Seen from Computer Simulations' The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol 121, no. 22, pp. 5582-5594. DOI: 10.1021/acs.jpcb.7b02220

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Fabian, B, Sega, M, Voloshin, VP, Medvedev, NN & Jedlovszky, P 2017, 'Lateral Pressure Profile and Free Volume Properties in Phospholipid Membranes Containing Anesthetics' The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol 121, no. 13, pp. 2814-2824. DOI: 10.1021/acs.jpcb.7b00990

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Fernandez-Castanon, J, Bomboi, F, Rovigatti, L, Zanatta, M, Paciaroni, A, Comez, L, Porcar, L, Jafta, CJ, Fadda, GC, Bellini, T & Sciortino, F 2016, 'Small-angle neutron scattering and molecular dynamics structural study of gelling DNA nanostars' Journal of Chemical Physics, vol 145, no. 8, 084910. DOI: 10.1063/1.4961398

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Fornleitner, J, Kahl, G & Likos, C 2010, 'Tailoring the phonon band structure in binary colloidal mixtures' Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol 81, no. 6, 060401(R). DOI: 10.1103/PhysRevE.81.060401

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Forster, C & Posch, H 2005, 'Lyapunov modes in soft-disk fluids' New Journal of Physics, vol 7, 32. DOI: 10.1088/1367-2630/7/1/032

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Fouxon, I & Posch, H 2012, 'Dynamics of threads and polymers in turbulence: power-law distributions and synchronization' Journal of Statistical Mechanics: Theory and Experiment, vol 2012, no. 1, P01022. DOI: 10.1088/1742-5468/2012/01/P01022

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Fytas, NG, Theodorakis, P & Georgiou, I 2012, 'Universality aspects of the trimodal random-field Ising model' European Physical Journal B. Condensed Matter, vol 85, no. 10, 349. DOI: 10.1140/epjb/e2012-30731-8

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Fytas, NG & Theodorakis, PE 2013, 'Universality aspects of the 2d random-bond Ising and 3d Blume-Capel models' European Physical Journal B. Condensed Matter, vol 86, no. 2, 30. DOI: 10.1140/epjb/e2012-30705-x

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Fytas, NG & Theodorakis, P 2011, 'Analysis of the static properties of cluster formations in symmetric linear multiblock copolymers' Journal of Physics: Condensed Matter, vol 23, no. 23, 235106. DOI: 10.1088/0953-8984/23/23/235106

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Garlea, IC, Bianchi, E, Capone, B, Rovigatti, L & Likos, CN 2017, 'Hierarchical self-organization of soft patchy nanoparticles into morphologically diverse aggregates' Current Opinion in Colloid & Interface Science, vol 30, pp. 1-7. DOI: 10.1016/j.cocis.2017.03.008

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Geiger, P & Dellago, C 2010, 'Identifying rare chaotic and regular trajectories in dynamical systems with Lyapunov weighted path sampling' Chemical Physics, vol 375, no. 2-3, pp. 309-315. DOI: 10.1016/j.chemphys.2010.04.024

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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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