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Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide. / Susi, Toma (Corresponding author); Skákalová, Viera; Mittelberger, Andreas; Kotrusz, Peter; Hulman, Martin; Pennycook, Timothy J.; Mangler, Clemens; Kotakoski, Jani; Meyer, Jannik C. (Corresponding author).

In: Scientific Reports, Vol. 7, No. 1, 4399, 01.12.2017.

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The role of directional interactions in the designability of generalized heteropolymers. / Cardelli, Chiara; Bianco, Valentino; Rovigatti, Lorenzo; Nerattini, Francesca; Tubiana, Luca; Dellago, Christoph; Coluzza, Ivan (Corresponding author).

In: Scientific Reports, Vol. 7, No. 1, 4986, 01.12.2017.

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Creating nanoporous graphene with swift heavy ions (vol 114, pg 511, 2017). / Vazquez, H.; Ahlgren, E. H.; Ochedowski, O.; Leino, A. A.; Mirzayev, R.; Kozubek, Roland; Lebius, H.; Karlusic, M.; Jaksic, M.; Krasheninnikov, Arkady V.; Kotakoski, J.; Schleberger, Marika; Nordlund, K.; Djurabekova, F. (Corresponding author).

In: Carbon, Vol. 119, 08.2017, p. 200-200.

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Self-assembly of polymer-like structures of magnetic colloids: Langevin dynamics study of basic topologies. / Rozhkov, Dmitriy; Pyanzina, Elena S.; Novak, Ekaterina; Cerdà, Joan J.; Sintes, Tomás; Ronti, Michela; Sciortino, Francesco; Sánchez, Pedro A.; Kantorovich, Sofia.

In: Molecular Simulation, 08.2017.

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Three-Dimensional Electronic Structure of the Type-II Weyl Semimetal WTe2. / Di Sante, Domenico (Corresponding author); Das, Pranab Kumar (Corresponding author); Bigi, C.; Ergönenc, Z.; N., Gürtler; Krieger, J. A.; Schmitt, T.; Ali, M. N.; Rossi, Graziano; Thomale, R.; Franchini, C.; Picozzi, Silvia; Fujii, Jun; Strocov, V. N.; Sangiovanni, G.; Vobornik, I.; Cava, R. J.; Panaccione, G.

In: Physical Review Letters, Vol. 119, No. 2, 026403, 14.07.2017.

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Cleaning graphene : Comparing heat treatments in air and in vacuum. / Tripathi, Mukesh; Mittelberger, Andreas; Mustonen, Kimmo; Mangler, Clemens; Kotakoski, Jani; Meyer, Jannik C.; Susi, Toma.

In: Physica Status Solidi. Rapid Research Letters, 05.07.2017.

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Ab initio prediction of the high-pressure phase diagram of BaBiO3. / Smolyanyuk, Andriy (Corresponding author); Boeri, Lilia; Franchini, Cesare.

In: Physical Review B, Vol. 96, No. 3, 035103, 05.07.2017.

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The influence of the magnetic filler concentration on the properties of a microgel particle: zero-field case. / Minina, Elena; Sánchez, Pedro A.; Likos, Christos; Kantorovich, Sofia.

In: Journal of Magnetism and Magnetic Materials, 07.2017.

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Merging GW with DMFT and non-local correlations beyond. / Tomczak, J. M.; Liu, P.; Toschi, Alessandro; Kresse, G.; Held, K. (Corresponding author).

In: European Physical Journal. Special Topics, Vol. 226, No. 11, 07.2017, p. 2565-2590.

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Role of Water in the Selection of Stable Proteins at Ambient and Extreme Thermodynamic Conditions. / Bianco, Valentino (Corresponding author); Franzese, Giancarlo; Dellago, Christoph; Coluzza, Ivan.

In: Physical Review X, Vol. 7, No. 2, 021047, 26.06.2017.

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Chirality-dependent growth of single-wall carbon nanotubes as revealed inside nano-test tubes. / Kharlamova, Marianna V. (Corresponding author); Kramberger, Christian; Saito, Takeshi; Sato, Yuta; Suenaga, Kazu; Pichler, Thomas; Shiozawa, Hidetsugu.

In: Nanoscale, Vol. 9, No. 23, 21.06.2017, p. 7998-8006.

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Ru doping in iron-based pnictides : The "unfolded" dominant role of structural effects for superconductivity. / Reticcioli, M. (Corresponding author); Profeta, G; Franchini, C.; Continenza, A.

In: Physical Review B, Vol. 95, No. 21, 214510, 20.06.2017.

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Single Particle Dynamics at the Intrinsic Surface of Various Apolar, Aprotic Dipolar, and Hydrogen Bonding Liquids As Seen from Computer Simulations. / Fabian, Balazs; Sega, Marcello (Corresponding author); Horvai, George; Jedlovszky, Pal.

In: Journal of physical chemistry b, Vol. 121, No. 22, 08.06.2017, p. 5582-5594.

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Relation between the Liquid Spinodal Pressure and the Lateral Pressure Profile at the Liquid-Vapor Interface. / Sega, Marcello (Corresponding author); Fabian, Balazs; Imre, Attila R.; Jedlovszky, Pal.

In: The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), Vol. 121, No. 22, 08.06.2017, p. 12214-12219.

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Self-assembly of designed supramolecular magnetic filaments of different shapes. / Novak, Ekaterina; Rozhkov, Dmitriy; Sánchez, Pedro A.; Kantorovich, Sofia.

In: Journal of Magnetism and Magnetic Materials, Vol. 431, 01.06.2017, p. 152-156.

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The influence of interparticle correlations and self-assembly on the dynamic initial magnetic susceptibility spectra of ferrofluids. / Ivanov, Alexey O. (Corresponding author); Kantorovich, S. S.; Elfimova, Ekaterina A.; Zverev, Vladimir S.; Sindt, Julien O.; Camp, Philip J.

In: Journal of Magnetism and Magnetic Materials, Vol. 431, 01.06.2017, p. 141-144.

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On the role of the electric dipole moment in the diffraction of biomolecules at nanomechanical gratings. / Knobloch, Christian; Stickler, Benjamin; Brand, Christian; Sclafani, Michele; Lilach, Yigal; Juffmann, Thomas; Cheshnovsky, Ori; Hornberger, K.; Arndt, Markus.

In: Fortschritte der Physik, Vol. 65, No. 6-8, 1600025, 06.2017.

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Doping of metal-organic frameworks towards resistive sensing. / Shiozawa, Hidetsugu (Corresponding author); Bayer, Bernhard C.; Peterlik, Herwig; Meyer, Jannik C.; Lang, Wolfgang; Pichler, Thomas.

In: Scientific Reports, Vol. 7, 2439, 26.05.2017.

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How cube-like must magnetic nanoparticles be to modify their self-assembly? / Donaldson, Joe G. (Corresponding author); Linse, Per; Kantorovich, Sofia S.

In: Nanoscale, Vol. 9, No. 19, 21.05.2017, p. 6448-6462.

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Numerical evidence for thermally induced monopoles. / Wirnsberger, Peter; Fijan, Domagoj; Lightwood, Roger A.; Šarić, Andela; Dellago, Christoph; Frenkel, Daan (Corresponding author).

In: Proceedings of the National Academy of Sciences of the United States of America (PNAS), Vol. 114, No. 19, 09.05.2017, p. 4911-4914.

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Precise determination of graphene functionalization by in situ Raman spectroscopy. / Vecera, Philipp; Chacón-Torres, Julio C.; Pichler, Thomas; Reich, Stephanie; Soni, Himadri R.; Görling, Andreas; Edelthalhammer, Konstantin; Peterlik, Herwig; Hauke, Frank; Hirsch, Andreas (Corresponding author).

In: Nature Communications, Vol. 8, 15192, 08.05.2017.

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Coarsening dynamics of ferromagnetic networks --- experimental results and simulations. / Kögel, Armin; Maretzki, Robin; Pyanzina, Elena S.; Sánchez, Pedro A.; Kantorovich, Sofia; Richter, Reinhard.

In: Soft Matter, 05.2017.

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Introducing Overlapping Grain Boundaries in Chemical Vapor Deposited Hexagonal Boron Nitride Monolayer Films. / Bayer, Bernhard C, (Corresponding author); Caneva, Sabina; Pennycook, Timothy J.; Kotakoski, Jani; Mangler, Clemens; Hofmann, Stephan; Meyer, Jannik C.

In: ACS Nano, Vol. 11, No. 5, 05.2017, p. 4521-4527.

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Long-Range Dispersion Effects on the Water/Vapor Interface Simulated Using the Most Common Models. / Sega, Marcello; Dellago, Christoph (Corresponding author).

In: The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 121, No. 15, 20.04.2017, p. 3798-3803.

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Lateral Pressure Profile and Free Volume Properties in Phospholipid Membranes Containing Anesthetics. / Fabian, Balazs; Sega, Marcello; Voloshin, Vladimir P.; Medvedev, Nikolai N.; Jedlovszky, Pal (Corresponding author).

In: The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 121, No. 13, 06.04.2017, p. 2814-2824.

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Creating nanoporous graphene with swift heavy ions. / Vázquez, H.; Åhlgren, E. H.; Ochedowski, O.; Leino, A. A.; Mirzayev, R.; Kozubek, R.; Lebius, H.; Karlušic, M.; Jakšic, M.; Krasheninnikov, A. V.; Kotakoski, J.; Schleberger, M.; Nordlund, K.; Djurabekova, F. (Corresponding author).

In: Carbon, Vol. 114, 01.04.2017, p. 511-518.

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ForConX: A Forcefield Conversion Tool Based on XML. / Lesch, Volker (Corresponding author); Diddens, Diddo; Bernardes, Carlos E. S.; Golub, Benjamin; Dequidt, Alain; Zeindlhofer, Veronika; Sega, Marcello; Schroeder, Christian (Corresponding author).

In: Journal of Computational Chemistry, Vol. 38, No. 9, 04.2017, p. 629-638.

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Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering. / He, Jiangang; Franchini, Cesare; Rondinelli, James M.

In: Chemistry of Materials, Vol. 9, No. 6, 28.03.2017, p. 2445–2451.

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Full rotational control of levitated silicon nanorods. / Kuhn, Stefan (Corresponding author); Kosloff, Alon; Stickler, Benjamin A.; Patolsky, Fernando; Hornberger, Klaus; Arndt, Markus; Millen, James.

In: Optica, Vol. 4, No. 3, 20.03.2017, p. 356-360.

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Quartic scaling MP2 for solids : A highly parallelized algorithm in the plane wave basis. / Schäfer, Tobias; Ramberger, Benjamin; Kresse, Georg.

In: Journal of Chemical Physics, Vol. 146, No. 10, 104101, 14.03.2017.

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Scattering properties and internal structure of magnetic filament brushes. / Pyanzina, Elena S.; Sánchez, Pedro A.; Cerdà, Joan J.; Sintes, Tomás; Kantorovich, Sofia.

In: Soft Matter, Vol. 13, 13.03.2017, p. 2590 -2602.

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Unraveling the 3D Atomic Structure of a Suspended Graphene/hBN van der Waals Heterostructure. / Argentero, Giacomo; Mittelberger, Andreas; Ahmad Pour Monazam, Mohammad Reza; Cao, Yang; Pennycook, Timothy J.; Mangler, Clemens; Kramberger, Christian; Kotakoski, Jani; Geim, A. K.; Meyer, Jannik C. (Corresponding author).

In: Nano Letters: a journal dedicated to nanoscience and nanotechnology, Vol. 17, No. 3, 08.03.2017, p. 1409-1416.

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Analytic Interatomic Forces in the Random Phase Approximation. / Ramberger, Benjamin; Schäfer, Tobias; Kresse, Georg (Corresponding author).

In: Physical Review Letters, Vol. 118, No. 10, 106403, 07.03.2017.

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Dimensionality-strain phase diagram of strontium iridates. / Kim, Bongjae (Corresponding author); Liu, Peitao; Franchini, Cesare.

In: Physical Review B, Vol. 95, No. 11, 115111, 07.03.2017.

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Manipulating low-dimensional materials down to the level of single atoms with electron irradiation. / Susi, Toma (Corresponding author); Meyer, Jannik C. (Corresponding author); Kotakoski, Jani (Corresponding author).

In: Ultramicroscopy, Vol. 180, 02.03.2017, p. 163-172.

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Defect engineering of single- and few-layer MoS2 by swift heavy ion irradiation. / Madauß, Lukas; Ochedowski, Oliver; Lebius, Henning; Ban-d'Etat, Brigitte; Naylor, Carl H.; Johnson, A T Charlie; Kotakoski, Jani; Schleberger, Marika.

In: 2D Materials, Vol. 4, No. 1, 015034, 03.2017.

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2D Heterostructures Derived from MoS2-Templated, Cobalt-Containing Conjugated Microporous Polymer Sandwiches for the Oxygen Reduction Reaction and Electrochemical Energy Storage. / Yuan, Kai; Zhuang, Xiaodong (Corresponding author); Hu, Ting; Shi, Lei; Sfaelou, Stavroula; Polnick, Ulrike; Forster, Michael; Pichler, Thomas; Riedl, Thomas; Feng, Xinliang; Chen, Yiwang (Corresponding author); Scherf, Ullrich (Corresponding author).

In: Chemelectrochem, Vol. 4, No. 3, 03.2017, p. 709-715.

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Single-atom spectroscopy of phosphorus dopants implanted into graphene. / Susi, Toma (Corresponding author); Hardcastle, Trevor P; Hofsäss, Hans; Mittelberger, Andreas; Pennycook, Timothy; Mangler, Clemens; Drummond-Brydson, Rik; Scott, Andrew J; Meyer, Jannik C.; Kotakoski, Jani (Corresponding author).

In: 2D Materials, Vol. 4, No. 2, 021013, 28.02.2017.

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Macroscopic dielectric function within time-dependent density functional theory-Real time evolution versus the Casida approach. / Sander, Tobias (Corresponding author); Kresse, Georg.

In: Journal of Chemical Physics, Vol. 146, No. 6, 064110, 14.02.2017.

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NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations. / de Wijs, G. A. (Corresponding author); Laskowski, R.; Blaha, P.; Havenith, R. W. A.; Kresse, G.; Marsman, M.

In: Journal of Chemical Physics, Vol. 146, No. 6, 064115, 14.02.2017.

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Selective photodissociation of tailored molecular tags as a tool for quantum optics. / Sezer, Ugur; Geyer, Philipp; Kriegleder, Moritz; Debiossac, Maxime; Shayeghi, Armin; Arndt, Markus; Felix, Lukas; Mayor, Marcel (Corresponding author).

In: Beilstein Journal of Nanotechnology, Vol. 8, 02.02.2017, p. 325-333.

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Condensation and Demixing in Solutions of DNA Nanostars and Their Mixtures. / Locatelli, Emanuele (Corresponding author); Handle, Philip H.; Likos, Christos N.; Sciortino, Francesco; Rovigatti, Lorenzo.

In: ACS Nano, Vol. 11, No. 2, 02.2017, p. 2094-2102.

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GW100 : A Plane Wave Perspective for Small Molecules. / Maggio, Emanuele; Liu, Peitao; van Setten, Michiel J.; Kresse, Georg (Corresponding author).

In: Journal of Chemical Theory and Computation, Vol. 13, No. 2, 02.2017, p. 635-648.

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Grain boundary-mediated nanopores in molybdenum disulfide grown by chemical vapor deposition. / Elibol, Kenan; Susi, Toma; O'Brien, Maria; Bayer, Bernhard C.; Pennycook, Timothy J.; McEvoy, Niall; Duesberg, Georg S.; Meyer, Jannik C.; Kotakoski, Jani.

In: Nanoscale, Vol. 9, No. 4, 28.01.2017, p. 1591-1598.

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Magnetic properties of bilayer Sr3Ir2O7: role of epitaxial strain and oxygen vacancies. / Kim, Bongjae; Liu, Peitao; Franchini, Cesare.

In: Physical Review B (Condensed Matter and Materials Physics), Vol. 95, No. 2, 024406, 06.01.2017.

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An optically detected magnetic resonance spectrometer with tunable laser excitation and wavelength resolved infrared detection. / Negyedi, M.; Palotas, J.; Gyure, B.; Dzsaber, S.; Kollarics, S.; Rohringer, P.; Pichler, T.; Simon, Ferenc.

In: Review of Scientific Instruments, Vol. 88, No. 1, 013902, 01.2017.

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New avenues for matter-wave-enhanced spectroscopy. / Rodewald, Jonas; Haslinger, Philipp; Doerre, Nadine; Stickler, Benjamin A.; Shayeghi, Armin; Hornberger, Klaus; Arndt, Markus (Corresponding author).

In: Applied Physics B: lasers and optics, Vol. 123, No. 1, 3, 01.2017.

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Crystallization and flow in active patch systems. / Hasnain, Jaffar (Corresponding author); Menzl, Georg; Jungblut, Swetlana; Dellago, Christoph.

In: Soft Matter, Vol. 13, No. 5, 2017, p. 930-936.

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Minimal modeling of composite magnetic elastomers. / Sánchez, Pedro A.; Dobroserdova, Alla; Gundermann, Thomas; Linke, Julia; Kantorovich, Sofia; Odenbach, Stefan.

In: Soft Matter, 2017.

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