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111 Results

Coarse-graining and phase behavior of model star polymer-colloid mixtures in solvents of varying quality. / Nikoubashman, Arash (Corresponding author); Mahynski, Nathan A.; Capone, Barbara; Panagiotopoulos, Athanassios Z.; Likos, Christos N.

In: Journal of Chemical Physics, Vol. 143, No. 24, 243108, 28.12.2015.

Publication: Contribution to journal › Article

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Intrinsic Structure of the Interface of Partially Miscible Fluids: An Application to Ionic Liquids. / Hantal, Gyoergy (Corresponding author); Sega, Marcello; Kantorovich, Sofia; Schroeder, Christian; Jorge, Miguel.

In: The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), Vol. 119, No. 51, 24.12.2015, p. 28448-28461.

Publication: Contribution to journal › Article

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Size and Purity Control of HPHT Nanodiamonds down to 1 nm. / Stehlik, Stepan (Corresponding author); Varga, Marian; Ledinsky, Martin; Jirasek, Vit; Artemenko, Anna; Kozak, Halyna; Ondic, Lukas; Skakalova, Viera; Argentero, Giacomo; Pennycook, Timothy; Meyer, Jannik C.; Fejfar, Antonin; Kromka, Alexander; Rezek, Bohuslav.

In: The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), Vol. 119, No. 49, 10.12.2015, p. 27708-27720.

Publication: Contribution to journal › Article

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Atomically precise semiconductor-graphene and hBN interfaces by Ge intercalation. / Verbitskiy, N. I.; Fedorov, A. V.; Profeta, G.; Stroppa, A.; Petaccia, L.; Senkovskiy, B.; Nefedov, A.; Wöll, C.; Usachov, D. Y.; Vyalikh, D. V.; Yashina, L. V.; Eliseev, A. A.; Pichler, Thomas; Grüneis, A.

In: Scientific Reports, Vol. 5, 17700, 07.12.2015.

Publication: Contribution to journal › Article

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Screened moments and absence of ferromagnetism in FeAl. / Galler, A. (Corresponding author); Taranto, C.; Wallerberger, M.; Kaltak, M.; Kresse, G.; Sangiovanni, G.; Toschi, A.; Held, K.

In: Physical Review B (Condensed Matter and Materials Physics), Vol. 92, No. 20, 205132, 30.11.2015.

Publication: Contribution to journal › Article

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Hidden scale invariance of metals. / Hummel, Felix; Kresse, Georg; Dyre, Jeppe C.; Pedersen, Ulf R.

In: Physical Review B (Condensed Matter and Materials Physics), Vol. 92, No. 17, 174116, 23.11.2015.

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Anionic Chemistry of Noble Gases: Formation of Mg-NG (NG = Xe, Kr, Ar) Compounds under Pressure. / Miao, Mao-sheng (Corresponding author); Wang, Xiao-li; Brgoch, Jakoah; Spera, Frank; Jackson, Matthew G.; Kresse, Georg; Lin, Hai-qing.

In: Journal of the American Chemical Society, Vol. 137, No. 44, 11.11.2015, p. 14122-14128.

Publication: Contribution to journal › Article

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Elasticity of polymeric nanocolloidal particles. / Riest, Jonas; Athanasopoulou, Labrini; Egorov, Sergei A.; Likos, Christos N.; Ziherl, Primoz (Corresponding author).

In: Scientific Reports, Vol. 5, 15854, 02.11.2015.

Publication: Contribution to journal › Article

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The importance of chemical potential in the determination of water slip in nanochannels. / Sega, M.; Sbragaglia, M.; Biferale, L.; Succi, S.

In: European Physical Journal E. Soft Matter, Vol. 38, No. 11, 127, 01.11.2015.

Publication: Contribution to journal › Article

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Temperature-dependent inner tube growth and electronic structure of nickelocene-filled single-walled carbon nanotubes. / Kharlamova, Marianna; Sauer, Markus; Egorov, A. V.; Kramberger, Christian; Saito, Takeshi; Pichler, Thomas; Shiozawa, Hidetsugu.

In: Physica Status Solidi. B: Basic Research, Vol. 252, No. 11, 11.2015, p. 2485–2490.

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Comprehensive spectroscopic characterization of high purity metallicity-sorted single-walled carbon nanotubes. / Kharlamova, Marianna V.; Kramberger, Christian; Sauer, Markus; Yanagi, Kazuhiro; Pichler, Thomas.

In: Physica Status Solidi. B: Basic Research, Vol. 252, No. 11, 11.2015, p. 2512–2518.

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Tailoring the electronic properties of single-walled carbon nanotubes via filling with nickel acetylacetonate. / Sauer, Markus (Corresponding author); Briones Leon, Juan Antonio; Saito, Takeshi; Yanagi, Kazuhiro; Schulte, Karina; Pichler, Thomas; Shiozawa, Hidetsugu.

In: Physica Status Solidi. B: Basic Research, Vol. 252, No. 11, 11.2015, p. 2546-2550.

Publication: Contribution to journal › Article

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Transport, magnetic and vibrational properties of chemically exfoliated few-layer graphene. / Markus, Bence G.; Simon, Ferenc (Corresponding author); Chacon-Torres, Julio C.; Reich, Stephanie; Szirmai, Peter; Nafradi, Balint; Forro, Laszlo; Pichler, Thomas; Vecera, Philipp; Hauke, Frank; Hirsch, Andreas.

In: Physica Status Solidi. B: Basic Research, Vol. 252, No. 11, 11.2015, p. 2438-2443.

Publication: Contribution to journal › Article

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Supramolecular Magnetic Brushes: The Impact of Dipolar Interactions on the Equilibrium Structure. / Sánchez, Pedro A.; Pyanzina, Elena S.; Novak, Ekaterina V.; Cerdà, Joan J.; Sintes, Tomas; Kantorovich, Sofia.

In: Macromolecules, Vol. 48, No. 20, 27.10.2015, p. 7658–7669.

Publication: Contribution to journal › Article

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Ferrogels cross-linked by magnetic particles : Field-driven deformation and elasticity studied using computer simulations. / Weeber, Rudolf; Kantorovich, Sofia; Holm, Christian.

In: Journal of Chemical Physics, Vol. 143, No. 15, 154901, 21.10.2015.

Publication: Contribution to journal › Article

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Ru-doping on iron based superconductors: the "unfolded" dominant role of structural effects. / Reticcioli, Michele; Profeta, Gianni; Franchini, Cesare; Continenza, Alessandra.

2015. Poster session presented at 9th ViCoM Workshop, Vienna, Austria.

Publication: Contribution to conference › Poster

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Nickel clusters embedded in carbon nanotubes as high performance magnets. / Shiozawa, Hidetsugu (Corresponding author); Briones Leon, Juan Antonio; Domanov, Oleg; Zechner, Georg; Sato, Yuta; Suenaga, Kazu; Saito, Takeshi; Eisterer, Michael; Weschke, Eugen; Lang, Wolfgang; Peterlik, Herwig; Pichler, Thomas.

In: Scientific Reports, Vol. 5, 15033, 13.10.2015.

Publication: Contribution to journal › Article

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Shan-Chen bicomponent fluid in CPU with tunable wetting conditions. / Bazarenko, Andrei; Sega, Marcello (Corresponding author).

2015. Poster session presented at Simulating Soft and Active Matter with ESPResSo, ESPResSo++, and VOTCA, Stuttgart, Germany.

Publication: Contribution to conference › Poster

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Shan-Chen bicomponent fluid with tuneable wetting conditions on CPU. / Bazarenko, Andrei; Sega, Marcello.

2015. Poster session presented at Simulating Soft and Active Matter with ESPResSo, ESPResSo++, and VOTCA, Stuttgart, Germany.

Publication: Contribution to conference › Poster

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Doping Carbon Nanomaterials with Heteroatoms. / Susi, Toma; Ayala, Paola.

Carbon Nanomaterials for Advanced Energy Systems: Advances in Materials Synthesis and Device Applications. ed. / Wen Lu; Jong-Beom Baek; Liming Dai. John Wiley & Sons, Inc., 2015. p. 133-161.

Publication: Contribution to book › Chapter

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The self-diffusion in the systems with geometric constraints. / Muratova, A.; Rozhkov, Dmitriy (Corresponding author); Kantorovich, Sofia (Corresponding author).

2015. Poster session presented at FisMat 2015, Palermo, Italy.

Publication: Contribution to conference › Poster

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The self-assembling anisotropic particles: nematic phase. / Pyanzina, Elena S.; Kantorovich, Sofia (Corresponding author); De Michele, Cristiano (Corresponding author).

2015. Poster session presented at FisMat 2015, Palermo, Italy.

Publication: Contribution to conference › Poster

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Self-assembling in the system of nanocylinders and nanodisks. / Pyanzina, Elena S.; Novak, Ekaterina (Corresponding author); Gudkova, Anna (Corresponding author); Kantorovich, Sofia (Corresponding author).

2015. Poster session presented at FisMat 2015, Palermo, Italy.

Publication: Contribution to conference › Poster

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An atomically thin matter-wave beamsplitter. / Brand, Christian; Sclafani, Michele; Knobloch, Christian; Lilach, Yigal; Juffmann, Thomas; Kotakoski, Jani; Mangler, Clemens; Winter, Andreas; Turchanin, Andrey; Meyer, Jannik; Cheshnovsky, Ori; Arndt, Markus (Corresponding author).

In: Nature Nanotechnology, Vol. 10, 10.2015, p. 845–848.

Publication: Contribution to journal › Article

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A Green's function approach to modeling molecular diffraction in the limit of ultra-thin gratings. / Brand, Christian; Fiedler, Johannes; Juffmann, Thomas; Sclafani, Michele; Knobloch, Christian; Scheel, Stefan; Lilach, Yigal; Cheshnovsky, Ori; Arndt, Markus (Corresponding author).

In: Annalen der Physik, Vol. 527, No. 9-10, 10.2015, p. 580-591.

Publication: Contribution to journal › Article

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Electronic, optical and magnetic properties of Srn+1IrnO3n+1 (n=1, 2, and ∞). / Liu, Peitao; Khmelevskyi, Sergii; Kim, Bongjae; Marsman, Martijn; Chen, Xing-Qiu; Sarma, D. D.; Kresse, Georg; Franchini, Cesare.

2015. Poster session presented at 2nd International Workshop on Dynamical Mean-Field Approach for Strongly Correlated Materials, Dresden, Germany.

Publication: Contribution to conference › Poster

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An enhanced version of the heat exchange algorithm with excellent energy conservation properties. / Wirnsberger, P.; Frenkel, D.; Dellago, C.

In: Journal of Chemical Physics, Vol. 143, No. 12, 124104, 28.09.2015.

Publication: Contribution to journal › Article

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Ru-doping on iron based superconductors: the "unfolded" dominant role of structural effects. / Reticcioli, Michele; Profeta, Gianni; Franchini, Cesare; Continenza, Alessandra.

2015. Poster session presented at Autumn School on Correlated Electrons, Jülich, Germany.

Publication: Contribution to conference › Poster

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Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces. / Sega, Marcello (Corresponding author); Fabian, Balazs; Jedlovszky, Pal.

In: Journal of Chemical Physics, Vol. 143, No. 11, 114709, 21.09.2015.

Publication: Contribution to journal › Article

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Effective interactions in polydisperse systems of penetrable macroions. / Colla, Thiago; Likos, Christos N. (Corresponding author).

In: Molecular Physics: an international journal in the field of chemical physics, Vol. 113, No. 17-18, 17.09.2015, p. 2496-2510.

Publication: Contribution to journal › Article

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On the reaction coordinate for seeded crystallisation. / Jungblut, Swetlana; Dellago, Christoph (Corresponding author).

In: Molecular Physics: an international journal in the field of chemical physics, Vol. 113, No. 17-18, 17.09.2015, p. 2735-2741.

Publication: Contribution to journal › Article

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Effective interactions of DNA-stars. / Velasco, Clara Abaurrea; Likos, Christos N.; Kahl, Gerhard (Corresponding author).

In: Molecular Physics: an international journal in the field of chemical physics, Vol. 113, No. 17-18, 17.09.2015, p. 2699-2706.

Publication: Contribution to journal › Article

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Validity of the Stokes-Einstein Relation in Soft Colloids up to the Glass Transition. / Gupta, Sudipta; Stellbrink, Joerg; Zaccarelli, Emanuela; Likos, Christos N.; Camargo, Manuel (Corresponding author); Holmqvist, Peter; Allgaier, Jürgen; Willner, Lutz; Richter, Dieter.

In: Physical Review Letters, Vol. 115, No. 12, 128302, 16.09.2015.

Publication: Contribution to journal › Article

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Simulated Interactive Research Experiments as Educational Tools for Advanced Science. / Tomandl, Mathias; Mieling, Thomas; Losert-Valiente Kroon, Christiane Maria; Hopf, Martin; Arndt, Markus.

In: Scientific Reports, No. 5, 15.09.2015.

Publication: Contribution to journal › Article

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Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces. / Michaelides, Angelos (Corresponding author); Martinez, Todd J.; Alavi, Ali; Kresse, Georg; Manby, Frederick R.

In: Journal of Chemical Physics, Vol. 143, No. 10, 102601, 14.09.2015.

Publication: Contribution to journal › Editorial

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Singles correlation energy contributions in solids. / Klimes, Jiri (Corresponding author); Kaltak, Merzuk; Maggio, Emanuele; Kresse, Georg.

In: Journal of Chemical Physics, Vol. 143, No. 10, 102816, 14.09.2015.

Publication: Contribution to journal › Article

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Interference of atomic clocks. / Arndt, Markus (Corresponding author); Brand, Christian.

In: Science, Vol. 349, No. 6253, 11.09.2015, p. 1168-1169.

Publication: Contribution to journal › Editorial

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GW quasiparticle energies and BSE optical spectrum of perovskites: SrTiO3 and NaOsO3. / Ergönenc, Zeynep; Kim, Bongjae; Liu, Peitao; Kresse, Georg; Franchini, Cesare.

2015. Poster session presented at Psi-K 2015 Conference, Donostia/San Sebastian, Spain.

Publication: Contribution to conference › Poster

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Magnetically-driven metal-to-insulator transition in NaOsO3: Slater vs. Lifshitz. / Kim, Bongjae; Ergönenc, Zeynep; Liu, Peitao; Toschi, Alessandro; Khmelevskyi, Sergii; Franchini, Cesare.

2015. Poster session presented at Psi-K 2015 Conference, Donostia/San Sebastian, Spain.

Publication: Contribution to conference › Poster

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Optical absorption spectra from real time propagation of orbitals. / Sander, Tobias; Kresse, Georg.

2015. Poster session presented at Psi-K 2015 Conference, Donostia/San Sebastian, Spain.

Publication: Contribution to conference › Poster

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Metalorganic chains assembled inside single-wall carbon nanotubes. / Domanov, Oleg; Sauer, Markus; Eisterer, Michael; Saito, Takeshi; Peterlik, Herwig; Pichler, Thomas; Shiozawa, Hidetsugu.

2015. Poster session presented at 49th Fullerene-Nanotube-Graphene General Symposium, Fukuoka, Japan.

Publication: Contribution to conference › Poster

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Practical and conceptual path sampling issues. / Bolhuis, P. G. (Corresponding author); Dellago, C.

In: European Physical Journal. Special Topics, Vol. 224, No. 12, 09.2015, p. 2409-2427.

Publication: Contribution to journal › Review

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Toward Two-Dimensional All-Carbon Heterostructures via Ion Beam Patterning of Single-Layer Graphene. / Kotakoski, Jani (Corresponding author); Brand, Christian; Lilach, Yigal; Cheshnovsky, Ori; Mangler, Clemens; Arndt, Markus; Meyer, Jannik C.

In: Nano Letters: a journal dedicated to nanoscience and nanotechnology, Vol. 15, No. 9, 09.2015, p. 5944-5949.

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Xe irradiation of graphene on Ir(111): From trapping to blistering. / Herbig, Charlotte (Corresponding author); Ahlgren, E. Harriet; Schroeder, Ulrike A.; Martinez-Galera, Antonio J.; Arman, Mohammad A.; Kotakoski, Jani; Knudsen, Jan; Krasheninnikov, Arkady V.; Michely, Thomas.

In: Physical Review B (Condensed Matter and Materials Physics), Vol. 92, No. 8, 085429, 26.08.2015.

Publication: Contribution to journal › Article

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Anisotropic magnetic couplings and structure-driven canted to collinear transitions in Sr2IrO4 by magnetically constrained noncollinear DFT. / Liu, Peitao; Khmelevskyi, Sergii; Kim, Bongjae; Marsman, Martijn; Li, Dianzhong; Chen, Xing-Qiu; Sarma, D. D.; Kresse, Georg; Franchini, Cesare (Corresponding author).

In: Physical Review B (Condensed Matter and Materials Physics), Vol. 92, No. 5, 054428, 19.08.2015.

Publication: Contribution to journal › Article

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Cavity-Assisted Manipulation of Freely Rotating Silicon Nanorods in High Vacuum. / Kuhn, Stefan; Asenbaum, Peter; Kosloff, Alon; Sclafani, Michele; Stickler, Benjamin A.; Nimmrichter, Stefan; Hornberger, Klaus; Cheshnovsky, Ori; Patolsky, Fernando; Arndt, Markus (Corresponding author).

In: Nano Letters: a journal dedicated to nanoscience and nanotechnology, Vol. 15, No. 8, 08.2015, p. 5604-5608.

Publication: Contribution to journal › Article

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An Anisotropic Effective Model for the Simulation of Semiflexible Ring Polymers. / Poier, Peter; Likos, Christos N.; Moreno, Angel J.; Blaak, Ronald.

In: Macromolecules, Vol. 48, No. 14, 28.07.2015, p. 4983-4997.

Publication: Contribution to journal › Article

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Nematic phase characterisation of the self-assembling sphere-cylinders based on the theoretically calculated RDFs. / Pyanzina, Elena S.; Kantorovich, Sofia S.; De Michele, Cristiano.

In: European Physical Journal E. Soft Matter, Vol. 38, No. 7, 81, 21.07.2015.

Publication: Contribution to journal › Article

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Beyond the Tamm-Dancoff approximation for extended systems using exact diagonalization. / Sander, Tobias (Corresponding author); Maggio, Emanuele; Kresse, Georg.

In: Physical Review B (Condensed Matter and Materials Physics), Vol. 92, No. 4, 045209, 20.07.2015.

Publication: Contribution to journal › Article

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Low order Galerkin models of 2D viscous fluid flow in annulus. / Bazarenko, Andrei; Sega, Marcello (Corresponding author).

2015. Poster session presented at Enrico Fermi Summer School "Soft Matter Self-Assembly", Varenna, Italy.

Publication: Contribution to conference › Poster

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