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:
  • Stadtmueller Benjamin, Lueftner Daniel, Willenbockel Martin, Reinisch Eva M., Sueyoshi Tomoki, Koller Georg, Soubatch Serguei, Ramsey Michael G., Puschnig Peter, Tautz F. Stefan, Kumpf Christian
    Unexpected interplay of bonding height and energy level alignment at heteromolecular hybrid interfaces
    NATURE COMMUNICATIONS 5, 3685 (2014)
  • Rettenwander Daniel, Blaha Peter, Laskowski Robert, Schwarz Karlheinz, Bottke Patrick, Wilkening Martin, Geiger Charles A., Amthauer Georg
    DFT Study of the Role of Al3+ in the Fast Ion-Conductor Li7-3xAlx3+La3Zr2O12 Garnet
    CHEMISTRY OF MATERIALS 26, 2617 (2014)
  • Pena A., Girschik A., Libisch F., Rotter S., Chabanov A. A.
    The single-channel regime of transport through random media
    NATURE COMMUNICATIONS 5, 3488 (2014)
  • Eckhardt C., Hummer K., Kresse G.
    Indirect-to-direct gap transition in strained and unstrained SnxGe1-x alloys
    PHYSICAL REVIEW B 89, 165201 (2014)
  • Fabien Tran, Karsai Ferenc, Blaha Peter
    Nonmagnetic and ferromagnetic fcc cerium studied with one-electron methods
    PHYSICAL REVIEW B 89, 155106 (2014)
  • Solc Roland, Gerzabek Martin H., Lischka Hans, Tunega Daniel
    Radical sites in humic acids: A theoretical study on protocatechuic and gallic acids
    COMPUTATIONAL AND THEORETICAL CHEMISTRY 1032, 42 (2014)
  • Lemmerer B., Utz D., Hanslmeier A., Veronig A., Thonhofer S., Grimm-Strele H., Kariyappa R.
    Two-dimensional segmentation of small convective patterns in radiation hydrodynamics simulations
    ASTRONOMY & ASTROPHYSICS 563, A107 (2014)
  • Hansmann P., Parragh N., Toschi A., Sangiovanni G., Held K.
    Importance of d-p Coulomb interaction for high T-C cuprates and other oxides
    NEW JOURNAL OF PHYSICS 16, 033009 (2014)
  • Likos C. N.
    Colloidal interactions: From effective potentials to structure
    RIVISTA DEL NUOVO CIMENTO 37, 125 (2014)
  • Karsai Ferenc, Tiwald Paul, Laskowski Robert, Tran Fabien, Koller David, Graefe Stefanie, Burgdoerfer Joachim, Wirtz Ludger, Blaha Peter
    F center in lithium fluoride revisited: Comparison of solid-state physics and quantum-chemistry approaches
    PHYSICAL REVIEW B 89, 125429 (2014)
  • Krimer Dmitry O., Liertzer Matthias, Rotter Stefan, Tuereci Hakan E.
    Route from spontaneous decay to complex multimode dynamics in cavity QED
    PHYSICAL REVIEW A 89, 033820 (2014)
  • Wang Zhiming, Zhong Zhicheng, Hao Xianfeng, Gerhold Stefan, Stoeger Bernhard, Schmid Michael, Sanchez-Barriga Jaime, Varykhalov Andrei, Franchini Cesare, Held Karsten, Diebold Ulrike
    Anisotropic two-dimensional electron gas at SrTiO3(110)
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 111, 3933 (2014)
  • Grueneis Andreas, Kresse Georg, Hinuma Yoyo, Oba Fumiyasu
    Ionization Potentials of Solids: The Importance of Vertex Corrections
    PHYSICAL REVIEW LETTERS 112, 096401 (2014)
  • Kastlunger Georg, Stadler Robert
    Density functional theory based calculations of the transfer integral in a redox-active single-molecule junction
    PHYSICAL REVIEW B 89, 115412 (2014)
  • Cordin M., Lechner B. A. J., Duerrbeck S., Menzel A., Bertel E., Redinger J., Franchini C.
    Experimental observation of defect pair separation triggering phase transitions
    SCIENTIFIC REPORTS 4, 4110 (2014)
  • Reinisch E. M., Ules T., Puschnig P., Berkebile S., Ostler M., Seyller T., Ramsey M. G., Koller G.
    Development and character of gap states on alkali doping of molecular films
    NEW JOURNAL OF PHYSICS 16, 23011 (2014)
  • Macher M., Klimes J., Franchini C., Kresse G.
    The random phase approximation applied to ice
    JOURNAL OF CHEMICAL PHYSICS 140, 084502 (2014)
  • He Jiangang, Hummer Kerstin, Franchini Cesare
    Stacking effects on the electronic and optical properties of bilayer transition metal dichalcogenides MoS2, MoSe2, WS2, and WSe2
    PHYSICAL REVIEW B 89, 075409 (2014)
  • Hiller M., Yoshida S., Burgdoerfer J., Ye S., Zhang X., Dunning F. B.
    Characterizing high-n quasi-one-dimensional strontium Rydberg atoms
    PHYSICAL REVIEW A 89, 023426 (2014)
  • He Jiangang, Franchini Cesare
    Structural determination and electronic properties of the 4d perovskite SrPdO3
    PHYSICAL REVIEW B 89, 045104 (2014)
  • Laskowski Robert, Blaha Peter
    Calculating NMR chemical shifts using the augmented plane-wave method
    PHYSICAL REVIEW B 89, 014402 (2014)
  • Grimm-Strele H., Kupka F., Muthsam H. J.
    Curvilinear grids for WENO methods in astrophysical simulations
    COMPUTER PHYSICS COMMUNICATIONS 185, 764 (2014)
  • Zonta Francesco, Soldati Alfredo
    Effect of Temperature Dependent Fluid Properties on Heat Transfer in Turbulent Mixed Convection
    JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME 136, 022501 (2014)
  • Eder Franz R., Kotakoski Jani, Kaiser Ute, Meyer Jannik C.
    A journey from order to disorder - Atom by atom transformation from graphene to a 2D carbon glass
    SCIENTIFIC REPORTS 4, 4060 (2014)
  • Euchner H., Yamada T., Rols S., Ishimasa T., Ollivier J., Schober H., Mihalkovic M., de Boissieu M.
    Lattice dynamics of the icosahedral quasicrystals i-ZnMgSc and i-ZnAgSc and the cubic 1/1-approximant Zn6Sc
    JOURNAL OF PHYSICS-CONDENSED MATTER 26, 055402 (2014)
  • Hao X. F., Stroppa A., Barone P., Filippetti A., Franchini C., Picozzi S.
    Structural and ferroelectric transitions in magnetic nickelate PbNiO3
    NEW JOURNAL OF PHYSICS 16, 015030 (2014)
  • Bergmair Bernhard, Huber Thomas, Bruckner Florian, Vogler Christoph, Fuger Markus, Suess Dieter
    Fully coupled, dynamic model of a magnetostrictive amorphous ribbon and its validation
    JOURNAL OF APPLIED PHYSICS 115, 023905 (2014)
  • Lamers Machteld, Hintzsche Leif E., Butler Keith T., Vullum Per Erik, Fang Chang-Ming, Marsman Martijn, Jordan Gerald, Harding John H., Kresse Georg, Weeber Arthur
    The interface of a-SiNx:H and Si: Linking the nano-scale structure to passivation quality
    SOLAR ENERGY MATERIALS AND SOLAR CELLS 120, 311 (2014)
  • Aquino Adelia J. A., Tunega Daniel, Schaumann Gabriele E., Haberhauer Georg, Gerzabek Martin H., Lischka Hans
    Proton transfer processes in polar regions of humic substances initiated by aqueous aluminum cation bridges: A computational study
    GEODERMA 213, 115 (2014)
  • Lee Jehyun, Makarov Denys, Brombacher Christoph, Dymerska Barbara, Suess Dieter, Albrecht Manfred, Fidler Josef
    Scaling dependence and tailoring of the pinning field in FePt-based exchange coupled composite media
    NANOTECHNOLOGY 25, 045604 (2014)

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