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.
 



936 entries found
with the tags:
  • Menzl Georg, Singraber Andreas, Dellago Christoph
    S-shooting: a Bennett-Chandler-like method for the computation of rate constants from committor trajectories.
    Faraday discussions None, (2016)
    VSC project: 70754
  • Lee Sun-Joo, Ren Feifei, Zangerl-Plessl Eva-Maria, Heyman Sarah, Stary-Weinzinger Anna, Yuan Peng, Nichols Colin G
    Structural basis of control of inward rectifier Kir2 channel gating by bulk anionic phospholipids.
    The Journal of general physiology 148, 227 (2016)
  • Denk Christoph, Svatunek Dennis, Mairinger Severin, Stanek Johann, Filip Thomas, Matscheko Dominik, Kuntner Claudia, Wanek Thomas, Mikula Hannes
    Design, Synthesis, and Evaluation of a Low-Molecular-Weight (11)C-Labeled Tetrazine for Pretargeted PET Imaging Applying Bioorthogonal in Vivo Click Chemistry.
    Bioconjugate chemistry 27, 1707 (2016)
  • Lejaeghere Kurt, Bihlmayer Gustav, Bjorkman Torbjorn, Blaha Peter, Blugel Stefan, Blum Volker, Caliste Damien, Castelli Ivano E, Clark Stewart J, Dal Corso Andrea, de Gironcoli Stefano, Deutsch Thierry, Dewhurst John Kay, Di Marco Igor, Draxl Claudia, Dul
    Reproducibility in density functional theory calculations of solids.
    Science (New York, N.Y.) 351, aad3000 (2016)
  • Ruckenbauer Matthias, Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
    Photoelectron spectra of 2-thiouracil, 4-thiouracil, and 2,4-dithiouracil.
    The Journal of chemical physics 144, 074303 (2016)
  • Huerta-Cepas Jaime, Szklarczyk Damian, Forslund Kristoffer, Cook Helen, Heller Davide, Walter Mathias C, Rattei Thomas, Mende Daniel R, Sunagawa Shinichi, Kuhn Michael, Jensen Lars Juhl, von Mering Christian, Bork Peer
    eggNOG 4.5: a hierarchical orthology framework with improved functional annotations for eukaryotic, prokaryotic and viral sequences.
    Nucleic acids research 44, D286 (2016)
  • Ondracka Pavel, Holec David, Necas David, Zajickova Lenka
    Accurate prediction of band gaps and optical properties of HfO2
    JOURNAL OF PHYSICS D-APPLIED PHYSICS 49, 395301 (2016)
  • Dorda Antonius, Ganahl Martin, Andergassen Sabine, von der Linden Wolfgang, Arrigoni Enrico
    Thermoelectric response of a correlated impurity in the nonequilibrium Kondo regime
    PHYSICAL REVIEW B 94, 245125 (2016)
  • Huber Markus Q.
    A NON-PERTURBATIVE STUDY OF THE CORRELATION FUNCTIONS OF THREE-DIMENSIONAL YANG-MILLS THEORY
    INTERNATIONAL MEETING: EXCITED QCD, 2016 9, 389 (2016)
  • Rab Christian, Baldovin-Saavedra Carla, Dionatos Odysseas, Vorobyov Eduard, Gudel Manuel
    The Gas Disk: Evolution and Chemistry
    SPACE SCIENCE REVIEWS 205, 3 (2016)
  • Ossiander M., Siegrist F., Shirvanyan V., Pazourek R., Sommer A., Latka T., Guggenmos A., Kleineberg U., Krausz F., Kienberger R., Schultze M.
    Correlation-Induced Photoemission Delay in Helium
    2016 CONFERENCE ON LASERS AND ELECTRO-OPTICS (CLEO) None, (2016)
  • Titvinidze Irakli, Dorda Antonius, von der Linden Wolfgang, Arrigoni Enrico
    Resonance effects in correlated multilayer heterostructures
    PHYSICAL REVIEW B 94, 245142 (2016)
  • Menzl Georg, Dellago Christoph
    Effect of entropy on the nucleation of cavitation bubbles in water under tension
    JOURNAL OF CHEMICAL PHYSICS 145, 211918 (2016)
  • Carpen-Amarie Alexandra, Hunold Sascha, Traeff Jesper Larsson
    On the Expected and Observed Communication Performance with MPI Derived Datatypes
    PROCEEDINGS OF THE 23RD EUROPEAN MPI USERS' GROUP MEETING (EUROMPI 2016) None, 108 (2016)
  • Yu Qiang, Le Jia-Liang, Hubler Mija H., Wendner Roman, Cusatis Gianluca, Bazant Zdenek P.
    Comparison of main models for size effect on shear strength of reinforced and prestressed concrete beams
    STRUCTURAL CONCRETE 17, 778 (2016)
  • Prugger Martina, Einkemmer Luk, Ostermann Alexander
    Evaluation of the partitioned global address space (PGAS) model for an inviscid Euler solver
    PARALLEL COMPUTING 60, 22 (2016)
  • Kapper Gernot, Kasilov Sergei V., Kernbichler Winfried, Martitsch Andreas F., Heyn Martin F., Marushchenko Nikolai B., Turkin Yuriy
    Electron cyclotron current drive simulations for finite collisionality plasmas in Wendelstein 7-X using the full linearized collision model
    PHYSICS OF PLASMAS 23, 112511 (2016)
  • Dorda Antonius, Titvinidze Irakli, Arrigoni Enrico
    Quasiparticle excitations in steady state transport across a correlated layer
    PROGRESS IN NON-EQUILIBRIUM GREEN'S FUNCTIONS (PNGF VI) 696, UNSP 012003 (2016)
  • Matkovic Aleksandar, Genser Jakob, Lueftner Daniel, Kratzer Markus, Gajic Rados, Puschnig Peter, Teichert Christian
    Epitaxy of highly ordered organic semiconductor crystallite networks supported by hexagonal boron nitride
    SCIENTIFIC REPORTS 6, 38519 (2016)
  • Ruh Thomas, Blaha Peter
    Evaluating Eigensolver Schemes within the Density Functional Theory Package WIEN2k
    2016 INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING & SIMULATION (HPCS 2016) None, 973 (2016)
  • Goger Brigitta, Rotach Mathias W., Gohm Alexander, Stiperski Ivana, Fuhrer Oliver
    Current Challenges for Numerical Weather Prediction in Complex Terrain: Topography Representation and Parameterizations
    2016 INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING & SIMULATION (HPCS 2016) None, 890 (2016)
  • Altarawneh Derar, Engelhardt Michael, Hoellwieser Roman
    Model of random center vortex lines in continuous 2+1-dimensional spacetime
    PHYSICAL REVIEW D 94, 114506 (2016)
  • Hunold Sascha, Carpen-Amarie Alexandra, Luebbe Felix Donatus, Traeff Jesper Larsson
    Automatic Verification of Self-consistent MPI Performance Guidelines
    EURO-PAR 2016: PARALLEL PROCESSING 9833, 433 (2016)
  • Chen Xiangyu, Ruider Stefan A., Hartmann Rolf W., Gonzalez Leticia, Maulide Nuno
    Metal-Free meta-Selective Alkyne Oxyarylation with Pyridine N-Oxides: Rapid Assembly of Metyrapone Analogues
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 55, 15424 (2016)
  • Menzl Georg, Gonzalez Miguel A., Geiger Philipp, Caupin Frederic, Abascal Jose L. F., Valeriani Chantal, Dellago Christoph
    Molecular mechanism for cavitation in water under tension
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 113, 13582 (2016)
  • Schoenauer K., Weiss S., Feyer V., Lueftner D., Stadtmueller B., Schwarz D., Sueyoshi T., Kumpf C., Puschnig P., Ramsey M. G., Tautz F. S., Soubatch S.
    Charge transfer and symmetry reduction at the CuPc/Ag(110) interface studied by photoemission tomography
    PHYSICAL REVIEW B 94, 205144 (2016)
  • Gall Johannes, Zeppenfeld Peter, Sun Lidong, Zhang Li, Luo Yang, Dong Zhenchao, Hu Chunguang, Puschnig Peter
    Spectroscopic STM studies of single pentacene molecules on Cu(110)-c(6 x 2)O
    PHYSICAL REVIEW B 94, 195441 (2016)
  • Scheiber D., Pippan R., Puschnig P., Romaner L.
    Ab initio search for cohesion-enhancing impurity elements at grain boundaries in molybdenum and tungsten
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 24, 085009 (2016)
  • Wan Lin, Wendner Roman, Liang Benliang, Cusatis Gianluca
    Analysis of the behavior of ultra high performance concrete at early age
    CEMENT & CONCRETE COMPOSITES 74, 120 (2016)
  • Ules Thomas, Lueftner Daniel, Reinisch Eva Maria, Koller Georg, Puschnig Peter, Ramsey Michael G.
    Continuous or discrete: Tuning the energy level alignment of organic layers with alkali dopants
    PHYSICAL REVIEW B 94, 205405 (2016)

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