Publications obtained by using VSC

Here are the scientific Publications of the various Projects on the VSC, while a collection of interesting articles for the general audience can be found in the main menu at Presscorner.

1145 entries found
with the tags:
  • Titvinidze Irakli, Dorda Antonius, von der Linden Wolfgang, Arrigoni Enrico
    Thermoelectric properties of a strongly correlated layer
    PHYSICAL REVIEW B 96, 115104 (2017)
  • Marcon Marco, Vorel Jan, Nincevic Kresimir, Wan-Wendner Roman
    Modeling Adhesive Anchors in a Discrete Element Framework
    MATERIALS 10, 917 (2017)
  • Rab Ch., Elbakyan V., Vorobyov E., Guedel M., Dionatos O., Audard M., Kamp I., Thi W. -F., Woitke P., Postel A.
    The chemistry of episodic accretion in embedded objects 2D radiation thermo-chemical models of the post-burst phase
    ASTRONOMY & ASTROPHYSICS 604, A15 (2017)
  • Zamborlini Giovanni, Lueftner Daniel, Feng Zhijing, Kollmann Bernd, Puschnig Peter, Dri Carlo, Panighel Mirko, Di Santo Giovanni, Goldoni Andrea, Comelli Giovanni, Jugovac Matteo, Feyer Vitaliy, Schneidery Claus Michael
    Multi-orbital charge transfer at highly oriented organic/metal interfaces
  • Erker Simon, Rinke Patrick, Moll Nikolaj, Hofmann Oliver T.
    Doping dependence of the surface phase stability of polar O-terminated (000(1)over-bar) ZnO
    NEW JOURNAL OF PHYSICS 19, 083012 (2017)
  • Scardamaglia Mattia, Susi Toma, Struzzi Claudia, Snyders Rony, Di Santo Giovanni, Petaccia Luca, Bittencourt Carla
    Spectroscopic observation of oxygen dissociation on nitrogen-doped graphene
    SCIENTIFIC REPORTS 7, 7960 (2017)
  • Bedoya-Martinez Natalia, Schrode Benedikt, Jones Andrew O. F., Salzillo Tommaso, Ruzie Christian, Demitri Nicola, Geerts Yves H., Venuti Elisabetta, Della Valle Raffaele Guido, Zojer Egbert, Resel Roland
    DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting
  • Bianchi Emanuela, Capone Barbara, Coluzza Ivan, Rovigatti Lorenzo, van Oostrum Peter D. J.
    Limiting the valence: advancements and new perspectives on patchy colloids, soft functionalized nanoparticles and biomolecules
  • Ferstl P., Mittendorfer F., Redinger J., Schneider M. A., Hammer L.
    Monatomic Co, CoO2, and CoO3 nanowires on Ir(100) and Pt(100) surfaces: Formation, structure, and energetics
    PHYSICAL REVIEW B 96, 085407 (2017)
  • Tran Fabien, Stelzl Julia, Koller David, Ruh Thomas, Blaha Peter
    Simple way to apply nonlocal van der Waals functionals within all-electron methods
    PHYSICAL REVIEW B 96, 054103 (2017)
  • Cabarcos Orlando M., Schuster Swen, Hehn Iris, Zhang Peng Peng, Maitani Masato M., Sullivan Nichole, Giguere Jean-Benoit, Morin Jean-Francois, Weiss Paul S., Zojer Egbert, Zhamikov Michael, Allara David L.
    Effects of Embedded Dipole Layers on Electrostatic Properties of Alkanethiolate Self-Assembled Monolayers
  • Rab Ch., Guedel M., Padovani M., Kamp I., Thi W. -F., Woitke P., Aresu G.
    Stellar energetic particle ionization in protoplanetary disks around T Tauri stars
    ASTRONOMY & ASTROPHYSICS 603, A96 (2017)
  • Pinheiro Max Jr., Ferrao Luiz F. A., Bettanin Fernanda, Aquino Adelia J. A., Machado Francisco B. C., Lischka Hans
    How to efficiently tune the biradicaloid nature of acenes by chemical doping with boron and nitrogen
  • Dengg Thomas, Razumovskiy Vsevolod, Romaner Lorenz, Kresse Georg, Puschnig Peter, Spitaler Juergen
    Thermal expansion coefficient of WRe alloys from first principles
    PHYSICAL REVIEW B 96, 035148 (2017)
  • Nogueira Juan J., Plasser Felix, Gonzalez Leticia
    Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysis
    CHEMICAL SCIENCE 8, 5682 (2017)
  • Ellinghaus Paul, Weinbub Josef, Nedjalkov Mihail, Selberherr Siegfried
    Analysis of lense-governed Wigner signed particle quantum dynamics
  • Bauernfeind Daniel, Zingl Manuel, Triebl Robert, Aichhorn Markus, Evertz Hans Gerd
    Fork Tensor-Product States: Efficient Multiorbital Real-Time DMFT Solver
    PHYSICAL REVIEW X 7, 031013 (2017)
  • Ambichl Philipp, Brandstoetter Andre, Bohm Julian, Kuehmayer Matthias, Kuhl Ulrich, Rotter Stefan
    Focusing inside Disordered Media with the Generalized Wigner-Smith Operator
    PHYSICAL REVIEW LETTERS 119, 033903 (2017)
  • Knapp I., Budinska B., Milosavljevic D., Heinrich P., Khmelevskyi S., Moser R., Podloucky R., Prenninger P., Bauer E.
    Impurity band effects on transport and thermoelectric properties of Fe2-xNixVAl
    PHYSICAL REVIEW B 96, 045204 (2017)
  • Verwuester Elisabeth, Wruss Elisabeth, Zojer Egbert, Hofmann Oliver T.
    Exploring the driving forces behind the structural assembly of biphenylthiolates on Au(111)
    JOURNAL OF CHEMICAL PHYSICS 147, 024706 (2017)
  • Obersteiner Veronika, Scherbela Michael, Hoermann Lukas, Wegner Daniel, Hofmann Oliver T.
    Structure Prediction for Surface-Induced Phases of Organic Monolayers: Overcoming the Combinatorial Bottleneck
    NANO LETTERS 17, 4453 (2017)
  • Philipp Marie-Therese, Wallerberger Markus, Gunacker Patrik, Held Karsten
    Mott-Hubbard transition in the mass-imbalanced Hubbard model
  • Obersteiner Veronika, Jeindl Andreas, Goetz Johannes, Perveaux Aurelie, Hofmann Oliver T., Zojer Egbert
    Electrostatic Design of 3D Covalent Organic Networks
    ADVANCED MATERIALS 29, 1700888 (2017)
  • Hariki Atsushi, Uozumi Takayuki, Kunes Jan
    LDA plus DMFT approach to core-level spectroscopy: Application to 3d transition metal compounds
    PHYSICAL REVIEW B 96, 045111 (2017)
  • Cardelli Chiara, Bianco Valentino, Rovigatti Lorenzo, Nerattini Francesca, Tubiana Luca, Dellago Christoph, Coluzza Ivan
    The role of directional interactions in the designability of generalized heteropolymers
    SCIENTIFIC REPORTS 7, 4986 (2017)
  • Kaufmann Josef, Gunacker Patrik, Held Karsten
    Continuous-time quantum Monte Carlo calculation of multiorbital vertex asymptotics
    PHYSICAL REVIEW B 96, 035114 (2017)
  • Hollerer Michael, Lueftner Daniel, Hurdax Philipp, Ules Thomas, Soubatch Serguei, Tautz Frank Stefan, Koller Georg, Puschnig Peter, Sterrer Martin, Ramsey Michael G.
    Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers
    ACS NANO 11, 6252 (2017)
  • Balao Francisco, Trucchi Emiliano, Wolfe Thomas M., Hao Bao-Hai, Lorenzo Maria Teresa, Baar Juliane, Sedman Laura, Kosiol Carolin, Amman Fabian, Chase Mark W., Hedren Mikael, Paun Ovidiu
    Adaptive sequence evolution is driven by biotic stress in a pair of orchid species (Dactylorhiza) with distinct ecological optima
    MOLECULAR ECOLOGY 26, 3649 (2017)
  • Ivanov A. N., Hoellwieser R., Troitskaya N. I., Wellenzohn M., Berdnikov Ya. A.
    Precision theoretical analysis of neutron radiative beta decay to order O(alpha(2)/pi(2))
    PHYSICAL REVIEW D 95, 113006 (2017)
  • Susi Toma, Skakalova Viera, Mittelberger Andreas, Kotrusz Peter, Hulman Martin, Pennycook Timothy J., Mangler Clemens, Kotakoski Jani, Meyer Jannik C.
    Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide
    SCIENTIFIC REPORTS 7, 4399 (2017)

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