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.
 

806 entries found
with the tags:
  • Machado Francisco B. C., Aquino Adelia J. A., Lischka Hans
    The Diverse Manifold of Electronic States Generated by a Single Carbon Defect in a Graphene Sheet: Multireference Calculations Using a Pyrene Defect Model
    CHEMPHYSCHEM 15, 3334 (2014)
    VSC projects: 70151, 70376
  • Wachter Georg, Lemell Christoph, Burgdoerfer Joachim, Sato Shunsuke A., Tong Xiao-Min, Yabana Kazuhiro
    Ab Initio Simulation of Electrical Currents Induced by Ultrafast Laser Excitation of Dielectric Materials
    PHYSICAL REVIEW LETTERS 113, 087401 (2014)
  • Setvin Martin, Franchini Cesare, Hao Xianfeng, Schmid Michael, Janotti Anderson, Kaltak Merzuk, Van de Walle Chris G., Kresse Georg, Diebold Ulrike
    Direct View at Excess Electrons in TiO2 Rutile and Anatase
    PHYSICAL REVIEW LETTERS 113, 086402 (2014)
  • Bischoff D., Libisch F., Burgdoerfer J., Ihn T., Ensslin K.
    Characterizing wave functions in graphene nanodevices: Electronic transport through ultrashort graphene constrictions on a boron nitride substrate
    PHYSICAL REVIEW B 90, 115405 (2014)
  • Hernandez-Tamargo Carlos E., Lilian Montero-Alejo Ana, Codorniu Pujals Daniel, Mikosch Hans, Hernandez Mayra P.
    Sulfur dimers adsorbed on Au(111) as building blocks for sulfur octomers formation: A density functional study
    JOURNAL OF CHEMICAL PHYSICS 141, 044713 (2014)
  • Li Zhang, Xinhua Xie, Roither Stefan, Kartashov Daniil, YanLan Wang, ChuanLiang Wang, Schoffler Markus, Shafir Dror, Corkum Paul B., Baltuska Andrius, Ivanov Igor, Kheifets Anatoli, XiaoJun Liu, Staudte Andre, Kitzler Markus
    Laser-sub-cycle two-dimensional electron-momentum mapping using orthogonal two-color fields
    Physical Review A (Atomic, Molecular, and Optical Physics) 90, (2014)
  • Chizhova L. A., Libisch F., Burgdorfer J.
    Graphene quantum dot on boron nitride: Dirac cone replica and Hofstadter butterfly
    Physical Review B (Condensed Matter and Materials Physics) 90, (2014)
  • Osintsev D., Sverdlov V., Neophytou N., Selberherr S.
    Valley splitting and spin lifetime enhancement in strained thin silicon films
    2014 International Workshop on Computational Electronics (IWCE) None, (2014)
  • Ye S., Zhang X., Dunning F. B., Yoshida S., Hiller M., Burgdorfer J.
    Efficient three-photon excitation of quasi-one-dimensional strontium Rydberg atoms with n~300
    Physical Review A (Atomic, Molecular, and Optical Physics) 90, (2014)
  • Sverdlov V., Ghosh J., Mahmoudi H., Makarov A., Osintsev D., Windbacher T., Selberherr S.
    Modeling spin-based electronic devices
    29th International Conference on Microelectronics (MIEL 2014). Proceedings None, (2014)
  • Sverdlov Viktor, Ghosh Joydeep, Mahmoudi Hiwa, Makarov Alex, Osintsev Dmitri, Windbacher Thomas, Selberherr Siegfried
    Modeling of spin-based silicon technology
    2014 15th International Conference on Ultimate Integration on Silicon (ULIS) None, (2014)
  • Gonzalez Miguel A, Menzl Georg, Aragones Juan L, Geiger Philipp, Caupin Frederic, Abascal Jose L F, Dellago Christoph, Valeriani Chantal
    Detecting vapour bubbles in simulations of metastable water.
    The Journal of chemical physics 141, 18C511 (2014)
  • Schwarz Florian, Kastlunger Georg, Lissel Franziska, Riel Heike, Venkatesan Koushik, Berke Heinz, Stadler Robert, Lortscher Emanuel
    High-conductive organometallic molecular wires with delocalized electron systems strongly coupled to metal electrodes.
    Nano letters 14, 5932 (2014)
  • Traeff Jesper Larsson, Rougier Antoine, Hunold Sascha
    Implementing a Classic: Zero-copy All-to-all Communication with MPI Datatypes
    PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) None, 135 (2014)
  • Osintsev Dmitri, Sverdlov Viktor, Selberherr Siegfried
    Uniaxial Shear Strain as a Mechanism to Increase Spin Lifetime in Thin Film of a SOI-Based Silicon Spin FETs
    FUNCTIONAL NANOMATERIALS AND DEVICES FOR ELECTRONICS, SENSORS AND ENERGY HARVESTING None, 127 (2014)
  • Ivanov A. N., Hoellwieser R., Wellenzohn M., Troitskaya N. I., Berdnikov Ya. A.
    Internal bremsstrahlung of beta decay of atomic S-35(16)
    PHYSICAL REVIEW C 90, 064608 (2014)
  • Asali Ahmad, Toson Peter, Blaha Peter, Fidler Josef
    Dependence of Magnetic Anisotropy Energy on c/a Ratio of X2Fe14B (X = Y, Pr, Dy)
    IEEE TRANSACTIONS ON MAGNETICS 50, 7027504 (2014)
  • Wolloch M., Feldbauer G., Mohn P., Redinger J., Vernes A.
    Ab initio friction forces on the nanoscale: A density functional theory study of fcc Cu(111)
    PHYSICAL REVIEW B 90, 195418 (2014)
  • Holec D., Tasnadi F., Wagner P., Friak M., Neugebauer J., Mayrhofer P. H., Keckes J.
    Macroscopic elastic properties of textured ZrN-AlN polycrystalline aggregates: From ab initio calculations to grainscale interactions
    PHYSICAL REVIEW B 90, 184106 (2014)
  • Ivanov A. N., Hoellwieser R., Wellenzohn M., Troitskaya N. I., Berdnikov Ya. A.
    Internal bremsstrahlung of beta decay of atomic S-35(16) (vol 90, 064608, 2014)
    PHYSICAL REVIEW C 90, 069902 (2014)
  • Brambilla N., Eidelman S., Foka P., Gardner S., Kronfeld A. S., Alford M. G., Alkofer R., Butenschoen M., Cohen T. D., Erdmenger J., Fabbietti L., Faber M., Goity J. L., Ketzer B., Lin H. W., Llanes-Estrada F. J., Meyer H. B., Pakhlov P., Pallante E., Pol
    QCD and strongly coupled gauge theories: challenges and perspectives
    EUROPEAN PHYSICAL JOURNAL C 74, 2981 (2014)
  • Nutho Bodee, Khuntawee Wasinee, Rungnim Chompoonut, Pongsawasdi Piamsook, Wolschann Peter, Karpfen Alfred, Kungwan Nawee, Rungrotmongkol Thanyada
    Binding mode and free energy prediction of fisetin/beta-cyclodextrin inclusion complexes
    BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY 10, 2789 (2014)
  • Kiss Peter T., Sega Marcello, Baranyai Andras
    Efficient Handling of Gaussian Charge Distributions: An Application to Polarizable Molecular Models
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10, 5513 (2014)
  • Bliem R., McDermott E., Ferstl P., Setvin M., Gamba O., Pavelec J., Schneider M. A., Schmid M., Diebold U., Blaha P., Hammer L., Parkinson G. S.
    Subsurface cation vacancy stabilization of the magnetite (001) surface
    SCIENCE 346, 1215 (2014)
  • Kalashnikov Vladimir L., Sorokin Evgeni
    Dissipative Raman Solitons
    OPTICS EXPRESS 22, 30118 (2014)
  • Schoenhart Martin, Mitter Hermine, Schmid Erwin, Heinrich Georg, Gobiet Andreas
    Integrated Analysis of Climate Change Impacts and Adaptation Measures in Austrian Agriculture
    GERMAN JOURNAL OF AGRICULTURAL ECONOMICS 63, 156 (2014)
  • Stoeger Bernhard, Hieckel Marcel, Mittendorfer Florian, Wang Zhiming, Schmid Michael, Parkinson Gareth S., Fobes David, Peng Jin, Ortmann John E., Limbeck Andreas, Mao Zhiqiang, Redinger Josef, Diebold Ulrike
    Point defects at cleaved Srn+1 RunO3n+1(001) surfaces
    PHYSICAL REVIEW B 90, 165438 (2014)
  • Linder Tobias, Saxena Priyanka, Timin Eugen, Hering Steffen, Stary-Weinzinger Anna
    Structural Insights into Trapping and Dissociation of Small Molecules in K+ Channels
    JOURNAL OF CHEMICAL INFORMATION AND MODELING 54, 3218 (2014)
  • Narros Arturo, Likos Christos N., Moreno Angel J., Capone Barbara
    Multi-blob coarse graining for ring polymer solutions
    SOFT MATTER 10, 9601 (2014)
  • Zhou Liangcai, Koermann Fritz, Holec David, Bartosik Matthias, Grabowski Blazej, Neugebauer Joerg, Mayrhofer Paul H.
    Structural stability and thermodynamics of CrN magnetic phases from ab initio calculations and experiment
    PHYSICAL REVIEW B 90, 184102 (2014)

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