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.
 



443 entries found
with the tags: TU Wien x
  • Halwidl Daniel, Mayr-Schmolzer Wernfried, Setvin Martin, Fobes David, Peng Jin, Mao Zhiqiang, Schmid Michael, Mittendorfer Florian, Redinger Josef, Diebold Ulrike
    A full monolayer of superoxide: oxygen activation on the unmodified Ca3Ru2O7(001) surface
    JOURNAL OF MATERIALS CHEMISTRY A 6, 5703 (2018)
  • Knoll Christian, Mueller Danny, Seifried Marco, Giester Gerald, Welch Jan M., Artner Werner, Hradil Klaudia, Reissner Michael, Weinberger Peter
    Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(II)-1,3-bis((1H-tetrazol-1-yl) methyl) bicyclo [1.1.1] pentane system
    DALTON TRANSACTIONS 47, 5553 (2018)
  • Svatunek Dennis, Denk Christoph, Mikula Hannes
    A computational model to predict the Diels-Alder reactivity of aryl/alkyl-substituted tetrazines
    MONATSHEFTE FUR CHEMIE 149, 833 (2018)
  • Tomczak Jan M.
    Thermoelectricity in correlated narrow-gap semiconductors
    JOURNAL OF PHYSICS-CONDENSED MATTER 30, 183001 (2018)
  • Mueller Danny, Knoll Christian, Seifried Marco, Welch Jan M., Giester Gerald, Reissner Michael, Weinberger Peter
    Halogenated Alkyltetrazoles for the Rational Design of Fe-II Spin-Crossover Materials: Fine-Tuning of the Ligand Size
    CHEMISTRY-A EUROPEAN JOURNAL 24, 5271 (2018)
  • Geffroy D., Hariki A., Kunes J.
    Excitonic magnet in external field: Complex order parameter and spin currents
    PHYSICAL REVIEW B 97, 155114 (2018)
  • Afonso J. Fernandez, Sotnikov A., Kunes J.
    Theoretical investigation of excitonic magnetism in LaSrCoO4
    JOURNAL OF PHYSICS-CONDENSED MATTER 30, 135603 (2018)
  • Boehm Johannes, Boehm Sigrid, Boisits Janina, Girdiuk Anastasiia, Gruber Jakob, Hellerschmied Andreas, Krasna Hana, Landskron Daniel, Madzak Matthias, Mayer David, McCallum Jamie, McCallum Lucia, Schartner Matthias, Teke Kamil
    Vienna VLBI and Satellite Software (VieVS) for Geodesy and Astrometry
    PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF THE PACIFIC 130, 044503 (2018)
  • Galler Anna, Kaufmann Josef, Gunacker Patrik, Pickem Matthias, Thunstroem Patrik, Tomczak Jan M., Held Karsten
    Towards ab initio Calculations with the Dynamical Vertex Approximation
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 87, 041004 (2018)
  • Floss Isabella, Lemell Christoph, Wachter Georg, Smejkal Valerie, Sato Shunsuke A., Tong Xiao-Min, Yabana Kazuhiro, Burgdoerfer Joachim
    Ab initio multiscale simulation of high-order harmonic generation in solids
    PHYSICAL REVIEW A 97, 011401 (2018)
  • Müller Danny, Knoll Christian, Ruh Thomas, Artner Werner, Welch Jan M., Peterlik Herwig, Eitenberger Elisabeth, Friedbacher Gernot, Harasek Michael, Blaha Peter, Hradil Klaudia, Werner Andreas, Weinberger Peter
    Calcium Doping Facilitates Water Dissociation in Magnesium Oxide
    ADVANCED SUSTAINABLE SYSTEMS 2, 1700096 (2018)
  • Höfinger Siegfried, Ruh Thomas, Haunschmid Ernst
    Fast Approximate Evaluation of Parallel Overhead from a Minimal Set of Measured Execution Times
    PARALLEL PROCESSING LETTERS 28, 1850003 (2018)
  • F. Kraushofer, Z. Jakub, M. Bichler, J. Hulva, P. Drmota, M. Weinold, M. Schmid, M. Setvin, U. Diebold, P. Blaha, G. Parkinson:
    Atomic-Scale Structure of the Hematite ?-Fe2O3(1102) "R-Cut" Surface
    The Journal of Physical Chemistry C, 122 (2018), 1657 - 1669.
    VSC project: 70296
  • F. Tran, S. Ehsan, P. Blaha:
    Assessment of the GLLB-SC potential for solid-state properties and attempts for improvement
    Physical Review Materials, 2 (2018), 023802.
    VSC project: 70296
  • S. Ehsan, A. Tröster, F. Tran, P. Blaha:
    DFT study of the electronic properties and the cubic to tetragonal phase transition in RbCaF3
    Physical Review Materials, 2 (2018), 093610.
    VSC project: 70296
  • F. Tran, P. Kovacs, L. Kalantari, G.K.H. Madsen, P. Blaha:
    Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solids"
    Journal of Chemical Physics, 149 (2018), 144105.
    VSC projects: 70296, 71212
  • F. Karsai, M. Humer, E. Flage-Larsen, P. Blaha, G. Kresse:
    Effects of electron-phonon coupling on absorption spectrum: K edge of hexagonal boron nitride
    Physical Review B, 98 (2018), 235205.
    VSC project: 70296
  • Freddy Florez, Reinhard Prenner, Norbert Krouzecky
    Experimental and numerical investigations of water jets
    Materials Today: Proceedings. Ed. Elsevier
  • Schindelegger M., Green J.A.M., Wilmes S.-B., Haigh I.D.
    Can we model the effect of observed sea level rise on tides?
    Journal of Geophysical Research Oceans
  • Gunacker Patrik
    Continuous-time quantum Monte Carlo in the hybridization expansion: implementations and applications
    PhD thesis, TU Wien (2018)
    VSC project: 70808
  • Rupp Karl, Rudolf Florian, Weinbub Josef
    Features of ViennaCL in PETSc
    Austrian HPC Meeting 2018
    VSC project: 70769
  • Watson Layne T., Sosonkina Masha, Thacker William, Weinbub Josef, Rupp Karl
    Proceedings of the High Performance Computing Symposium (HPC 2018)
    SpringSim '18 2018 Spring Simulation Multiconference, Society for Computer Simulation International (2018)
  • Zhang Hong, Mills Richard T., Rupp Karl, Smith Barry F.
    Vectorized Parallel Sparse Matrix-Vector Multiplication in PETSc Using AVX-512
    ACM, ICPP 2018 Proceedings of the 47th International Conference on Parallel Processing (2018)
  • Georgios Diamantopoulos

    Proceedings of the European Seminar on Computing
    VSC project: 70977
  • Lukas Gnam

    Proceedings of the Vienna Young Scientists Symposium
  • Marijana Lazic,

    Schloss Dagstuhl - Leibniz-Zentrum fuer Informatik
  • Ribic T., Gunacker P., Iskakov S., Wallerberger M., Rohringer G., Rubtsov A. N., Gull E., Held K.
    Role of three-particle vertex within dual fermion calculations
    PHYSICAL REVIEW B 96, 235127 (2017)
  • Simonka Vito, Hossinger Andreas, Weinbub Josef, Selberherr Siegfried
    ReaxFF Reactive Molecular Dynamics Study of Orientation Dependence of Initial Silicon Carbide Oxidation
    JOURNAL OF PHYSICAL CHEMISTRY A 121, 8791 (2017)
  • Jiang Wei-Chao, Nagele Stefan, Burgdorfer Joachim
    Observing electron-correlation features in two-photon double ionization of helium
    PHYSICAL REVIEW A 96, 053422 (2017)
  • Donsa Stefan, Hofstaetter Harald, Koch Othmar, Burgdoerfer Joachim, Brezinova Iva
    Long-time expansion of a Bose-Einstein condensate: Observability of Anderson localization
    PHYSICAL REVIEW A 96, 043630 (2017)

Search results 31 until 60 of 443