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.

1154 entries found
with the tags:
  • Moritz Clemens, Troester Andreas, Dellago Christoph
    Interplay of fast and slow dynamics in rare transition pathways: The disk-to-slab transition in the 2d Ising model
    JOURNAL OF CHEMICAL PHYSICS 147, 152714 (2017)
  • Leitner (Babinsky) K., Felfer P. J., Holec D., Cairney J., Knabl W., Lorich A., Clemens H., Primig S.
    On grain boundary segregation in molybdenum materials
    MATERIALS & DESIGN 135, 204 (2017)
  • Kraberger Gernot J., Triebl Robert, Zingl Manuel, Aichhorn Markus
    Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions
    PHYSICAL REVIEW B 96, 155128 (2017)
  • Whalen J. D., Camargo F., Ding R., Killian T. C., Dunning F. B., Perez-Rios J., Yoshida S., Burgdoerfer J.
    Lifetimes of ultralong-range strontium Rydberg molecules in a dense Bose-Einstein condensate
    PHYSICAL REVIEW A 96, 042702 (2017)
  • Bokdam Menno, Lahnsteiner Jonathan, Ramberger Benjamin, Schaefer Tobias, Kresse Georg
    Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites
    PHYSICAL REVIEW LETTERS 119, 145501 (2017)
  • Pacher Ferdinand, Mayrhofer Paul H., Holec David
    Vacancy-driven extended stability of cubic metastable Ta-Al-N and Nb-Al-N phases
  • Rehak Petr, Cerny Miroslav, Holec David
    Interface-induced electronic structure toughening of nitride superlattices
  • Torres-Dias Abraao C., Cerqueira Tiago F. T., Cui Wenwen, Marques Miguel A. L., Botti Silvana, Machon Denis, Hartmann Markus A., Sun Yiwei, Dunstan David J., San-Miguel Alfonso
    From mesoscale to nanoscale mechanics in single-wall carbon nanotubes
    CARBON 123, 145 (2017)
  • Powell Andrew D., Dattani Nikesh S., Spada Rene F. K., Machado Francisco B. C., Lischka Hans, Dawes Richard
    Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI
    JOURNAL OF CHEMICAL PHYSICS 147, 094306 (2017)
  • Lueftner Daniel, Weiss Simon, Yang Xiaosheng, Hurdax Philipp, Feyer Vitaliy, Gottwald Alexander, Koller Georg, Soubatch Serguei, Puschnig Peter, Ramsey Michael G., Tautz F. Stefan
    Understanding the photoemission distribution of strongly interacting two-dimensional overlayers
    PHYSICAL REVIEW B 96, 125402 (2017)
  • 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)

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