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.
 



765 entries found
with the tags:
  • Morawietz Tobias, Singraber Andreas, Dellago Christoph, Behler Joerg
    How van der Waals interactions determine the unique properties of water
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 113, 8368 (2016)
  • Ferstl Pascal, Hammer Lutz, Sobel Christopher, Gubo Matthias, Heinz Klaus, Schneider M. Alexander, Mittendorfer Florian, Redinger Josef
    Self-Organized Growth, Structure, and Magnetism of Monatomic Transition-Metal Oxide Chains
    PHYSICAL REVIEW LETTERS 117, 046101 (2016)
  • Greensite Jeff, Hoellwieser Roman
    Relative weights approach to SU(3) gauge theories with dynamical fermions at finite density
    PHYSICAL REVIEW D 94, 014504 (2016)
  • Zingl Manuel, Assmann Elias, Seth Priyanka, Krivenko Igor, Aichhorn Markus
    Importance of effective dimensionality in manganese pnictides
    PHYSICAL REVIEW B 94, 045130 (2016)
  • Tona Veronica, de la Torre Aurelien, Padmanaban Mohan, Ruider Stefan, Gonzalez Leticia, Maulide Nuno
    Chemo- and Stereoselective Transition-Metal-Free Amination of Amides with Azides
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138, 8348 (2016)
  • Wimmer Yannick, El-Sayed Al-Moatasem, Goes Wolfgang, Grasser Tibor, Shluger Alexander L.
    Role of hydrogen in volatile behaviour of defects in SiO2-based electronic devices
    PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES 472, 20160009 (2016)
  • Sanyal Prabuddha, Halder Anita, Si Liang, Wallerberger Markus, Held Karsten, Saha-Dasgupta Tanusri
    Magnetism in Sr2CrMoO6: A combined ab initio and model study
    PHYSICAL REVIEW B 94, (2016)
  • Einkemmer Lukas
    A resistive magnetohydrodynamics solver using modern C plus plus and the Boost library
    COMPUTER PHYSICS COMMUNICATIONS 206, 69 (2016)
  • Huber Veronika, Bikaljevic Djuro, Redinger Josef, Memmel Norbert
    Structure of Low and High Coverage Phases of Bromine on Pd(110)
    JOURNAL OF PHYSICAL CHEMISTRY C 120, 13523 (2016)
  • Nazemi Sanaz, Pourfath Mahdi, Soleimani Ebrahim Asl, Kosina Hans
    The effect of oxide shell thickness on the structural, electronic, and optical properties of Si-SiO2 core-shell nano-crystals: A (time dependent)density functional theory study
    JOURNAL OF APPLIED PHYSICS 119, 144302 (2016)
  • Wirnsberger P., Fijan D., Saric A., Neumann M., Dellago C., Frenkel D.
    Non-equilibrium simulations of thermally induced electric fields in water
    JOURNAL OF CHEMICAL PHYSICS 144, 224102 (2016)
  • Tran Fabien, Stelzl Julia, Blaha Peter
    Rungs 1 to 4 of DFT Jacob's ladder: Extensive test on the lattice constant, bulk modulus, and cohesive energy of solids
    JOURNAL OF CHEMICAL PHYSICS 144, 204120 (2016)
  • Plasser Felix
    Entanglement entropy of electronic excitations
    JOURNAL OF CHEMICAL PHYSICS 144, 194107 (2016)
  • Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
    Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS 7, 1978 (2016)
  • Pudleiner P., Schaefer T., Rost D., Li G., Held K., Bluemer N.
    Momentum structure of the self-energy and its parametrization for the two-dimensional Hubbard model
    PHYSICAL REVIEW B 93, 195134 (2016)
  • Choi Joong Il Jake, Mayr-Schmolzer Wernfried, Valenti Ilaria, Luches Paola, Mittendorfer Florian, Redinger Josef, Diebold Ulrike, Schmid Michael
    Metal Adatoms and Clusters on Ultrathin Zirconia Films
    JOURNAL OF PHYSICAL CHEMISTRY C 120, 9920 (2016)
  • Reinisch E. M., Puschnig P., Ules T., Ramsey M. G., Koller G.
    Layer-resolved photoemission tomography: The p-sexiphenyl bilayer upon Cs doping
    PHYSICAL REVIEW B 93, 155438 (2016)
  • Aman J. A., DeSalvo B. J., Dunning F. B., Killian T. C., Yoshida S., Burgdoerfer J.
    Trap losses induced by near-resonant Rydberg dressing of cold atomic gases
    PHYSICAL REVIEW A 93, (2016)
  • Kreutzer Johannes, Blaha Peter, Schubert Ulrich
    Assessment of different basis sets and DFT functionals for the calculation of structural parameters, vibrational modes and ligand binding energies of Zr4O2(carboxylate)(12) clusters
    COMPUTATIONAL AND THEORETICAL CHEMISTRY 1084, 162 (2016)
  • Wang Z., Loon A., Subramanian A., Gerhold S., McDermott E., Enterkin J. A., Hieckel M., Russell B. C., Green R. J., Moewes A., Guo J., Blaha P., Castell M. R., Diebold U., Marks L. D.
    Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate
    NANO LETTERS 16, 2407 (2016)
  • Maier Juergen, Detz Hermann
    Atomistic modeling of interfaces in III-V semiconductor superlattices
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 253, 613 (2016)
  • Ilyas Nahid, Harivyasi Shashank S., Zahl Percy, Cortes Rocio, Hofmann Oliver T., Sutter Peter, Zojer Egbert, Monti Oliver L. A.
    Sticking with the Pointy End? Molecular Configuration of Chloro Boron-Subphthalocyanine on Cu(111)
    JOURNAL OF PHYSICAL CHEMISTRY C 120, 7113 (2016)
  • Li Gang, Wentzell Nils, Pudleiner Petra, Thunstroem Patrik, Held Karsten
    Efficient implementation of the parquet equations: Role of the reducible vertex function and its kernel approximation
    PHYSICAL REVIEW B 93, 165103 (2016)
  • Einkemmer Lukas
    High performance computing aspects of a dimension independent semi-Lagrangian discontinuous Galerkin code
    COMPUTER PHYSICS COMMUNICATIONS 202, 326 (2016)
  • Assmann E., Wissgott P., Kunes J., Toschi A., Blaha P., Held K.
    woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement
    COMPUTER PHYSICS COMMUNICATIONS 202, 1 (2016)
  • Klimashin F. F., Euchner H., Mayrhofer P. H.
    Computational and experimental studies on structure and mechanical properties of Mo-Al-N
    ACTA MATERIALIA 107, 273 (2016)
  • Wruss Elisabeth, Hofmann Oliver T., Egger David A., Verwuester Elisabeth, Gerlach Alexander, Schreiber Frank, Zojer Egbert
    Adsorption Behavior of Nonplanar Phthalocyanines: Competition of Different Adsorption Conformations
    JOURNAL OF PHYSICAL CHEMISTRY C 120, 6869 (2016)
  • Halwidl Daniel, Stoeger Bernhard, Mayr-Schmoelzer Wernfried, Pavelec Jiri, Fobes David, Peng Jin, Mao Zhiqiang, Parkinson Gareth S., Schmid Michael, Mittendorfer Florian, Redinger Josef, Diebold Ulrike
    Adsorption of water at the SrO surface of ruthenates
    NATURE MATERIALS 15, 450 (2016)
  • Liao Z., Huijben M., Zhong Z., Gauquelin N., Macke S., Green R. J., Van Aert S., Verbeeck J., Van Tendeloo G., Held K., Sawatzky G. A., Koster G., Rijnders G.
    Controlled lateral anisotropy in correlated manganite heterostructures by interface-engineered oxygen octahedral coupling
    NATURE MATERIALS 15, 425 (2016)
  • Scheiber Daniel, Pippan Reinhard, Puschnig Peter, Romaner Lorenz
    Ab initio calculations of grain boundaries in bcc metals
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 24, 035013 (2016)

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