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:
  • Linder Tobias, Bernsteiner Harald, Saxena Priyanka, Bauer Florian, Erker Thomas, Timin Eugen, Hering Steffen, Stary-Weinzinger Anna
    Drug trapping in hERG K+ channels: (not) a matter of drug size?
    MEDCHEMCOMM 7, 512 (2016)
  • Xie Lan-Gui, Niyomchon Supaporn, Mota Antonio J., Gonzalez Leticia, Maulide Nuno
    Metal-free intermolecular formal cycloadditions enable an orthogonal access to nitrogen heterocycles
    NATURE COMMUNICATIONS 7, 10914 (2016)
  • Das Anita, Mueller Thomas, Plasser Felix, Lischka Hans
    Polyradical Character of Triangular Non-Kekule Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study
    JOURNAL OF PHYSICAL CHEMISTRY A 120, 1625 (2016)
  • Gargallo-Caballero Raquel, Martin-Garcia Laura, Quesada Adrian, Granados-Miralles Cecilia, Foerster Michael, Aballe Lucia, Bliem Roland, Parkinson Gareth S., Blaha Peter, Marco Jose F., de la Figuera Juan
    Co on Fe3O4(001): Towards precise control of surface properties
    JOURNAL OF CHEMICAL PHYSICS 144, 094704 (2016)
  • Plasser Felix, Ruckenbauer Matthias, Mai Sebastian, Oppel Markus, Marquetand Philipp, Gonzalez Leticia
    Efficient and Flexible Computation of Many-Electron Wave Function Overlaps
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 12, 1207 (2016)
  • Koller C. M., Koutna N., Ramm J., Kolozsvari S., Paulitsch J., Holec D., Mayrhofer P. H.
    First principles studies on the impact of point defects on the phase stability of (AlxCr1-x)(2)O-3 solid solutions
    AIP ADVANCES 6, 025002 (2016)
  • Hoellwieser Roman, Altarawneh Derar, Engelhardt Michael
    Random center vortex lines in continuous 3D space-time
    XITH CONFERENCE ON QUARK CONFINEMENT AND HADRON SPECTRUM 1701, 030007 (2016)
  • Faber Manfried, Hoellwieser Roman
    How center vortices break chiral symmetry
    XITH CONFERENCE ON QUARK CONFINEMENT AND HADRON SPECTRUM 1701, 030005 (2016)
  • Altarawneh Derar, Hoellwieser Roman, Engelhardt Michael
    Confining bond rearrangement in the random center vortex model
    PHYSICAL REVIEW D 93, 054007 (2016)
  • Neophytou Neophytos, Thesberg Mischa
    Modulation doping and energy filtering as effective ways to improve the thermoelectric power factor
    JOURNAL OF COMPUTATIONAL ELECTRONICS 15, 16 (2016)
  • Thesberg M., Pourfath M., Neophytou N., Kosina H.
    The Fragility of Thermoelectric Power Factor in Cross-Plane Superlattices in the Presence of Nonidealities: A Quantum Transport Simulation Approach
    JOURNAL OF ELECTRONIC MATERIALS 45, 1584 (2016)
  • Zwick Christian, Baby Anu, Gruenewald Marco, Verwuster Elisabeth, Hofmann Oliver T., Forker Roman, Fratesi Guido, Brivio Gian Paolo, Zojer Egbert, Fritz Torsten
    Complex Stoichiometry-Dependent Reordering of 3,4,9,10-Perylenetetracarboxylic Dianhydride on Ag(111) upon K Intercalation
    ACS NANO 10, 2365 (2016)
  • Hollerweger R., Zhou L., Holec D., Koller C. M., Rachbauer R., Polcik P., Mayrhofer P. H.
    Controlling microstructure, preferred orientation, and mechanical properties of Cr-Al-N by bombardment and alloying with Ta
    JOURNAL OF APPLIED PHYSICS 119, 065304 (2016)
  • DeSalvo B. J., Aman J. A., Gaul C., Pohl T., Yoshida S., Burgdoerfer J., Hazzard K. R. A., Dunning F. B., Killian T. C.
    Rydberg-blockade effects in Autler-Townes spectra of ultracold strontium
    PHYSICAL REVIEW A 93, 022709 (2016)
  • Taucher Thomas C., Hehn Iris, Hofmann Oliver T., Zharnikov Michael, Zojer Egbert
    Understanding Chemical versus Electrostatic Shifts in X-ray Photoelectron Spectra of Organic Self-Assembled Monolayers
    JOURNAL OF PHYSICAL CHEMISTRY C 120, 3428 (2016)
  • Razumovskiy Vsevolod I., Reyes-Huamantinco Andrei, Puschnig Peter, Ruban A. V.
    Effect of thermal lattice expansion on the stacking fault energies of fcc Fe and Fe75Mn25 alloy
    PHYSICAL REVIEW B 93, 054111 (2016)
  • Mewes Stefanie A., Mewes Jan-Michael, Dreuw Andreas, Plasser Felix
    Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18, 2548 (2016)
  • Camargo F., Whalen J. D., Ding R., Sadeghpour H. R., Yoshida S., Burgdoerfer J., Dunning F. B., Killian T. C.
    Lifetimes of ultra-long-range strontium Rydberg molecules
    PHYSICAL REVIEW A 93, 022702 (2016)
  • Kicuntod Jintawee, Khuntawee Wasinee, Wolschann Peter, Pongsawasdi Piamsook, Chavasiri Warinthorn, Kungwan Nawee, Rungrotmongkol Thanyada
    Inclusion complexation of pinostrobin with various cyclodextrin derivatives
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING 63, 91 (2016)
  • Wissgott Philipp, Held Karsten
    Electronic structure of CeRu4Sn6: a density functional plus dynamical mean field theory study
    EUROPEAN PHYSICAL JOURNAL B 89, 5 (2016)
  • Held M., Wiesenberger M., Stegmeir A.
    Three discontinuous Galerkin schemes for the anisotropic heat conduction equation on non-aligned grids
    COMPUTER PHYSICS COMMUNICATIONS 199, 29 (2016)
  • Schaefer Thomas, Toschi Alessandro, Held Karsten
    Dynamical vertex approximation for the two-dimensional Hubbard model
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 400, 107 (2016)
  • Bancelin, D.; Pilat-Lohinger, E.; Bazsó, Á.
    Asteroid flux towards circumprimary habitable zones in binary star systems. II. Dynamics
    EDP Sciences
  • Marco Seifried, Christian Knoll, Gerald Giester, Michael Reissner, Danny Müller and Peter Weinberger
    Hexakis(propargyl-1H-tetrazole)Iron(II)X2 [X=BF4, ClO4] - Spin Switchable Complexes with Functionalization Potential and the Myth of the Explosive SCO Compound
    MDPI
  • Josef Weinbub, Andreas Hössinger
    Comparison of the Parallel Fast Marching Method, the Fast Iterative Method, and the Parallel Semi-ordered Fast Iterative Method
    Procedia Computer Science, Elsevier
  • Pavel Ondra?ka, David Holec, David Ne?as and Lenka Zají?ková
    Accurate prediction of band gaps and optical properties of HfO2
    IOP Publishing, Journal of Physics D: Applied Physics, Volume 49, Number 39
  • M. Held, M. Wiesenberger, J. Madsen and A. Kendl
    The influence of temperature dynamics and dynamic finite ion Larmor radius effects on seeded high amplitude plasma blobs
    IOPSCIENCE, Nuclear Fusion
  • Vladimir L. Kalashnikov, Sergey Sergeyev
    Stochastic Calculations for Fibre Raman Amplifiers with Randomly Varying Birefringence, Chaotic Modeling and Simulation, January 2016 Issue, pp. 52-59.
    CMSIM
  • V.L. Kalashnikov, S.V. Sergeyev
    Stochastic Anti-Resonance in Polarization Phenomena, Chapter 10 in The Foundations of Chaos Revisited: From Poincaré to Recent Advancements, Ch. Skiadas (Ed.), pp. 159-179
    Springer
  • Josef Weinbub, Andreas Hössinger
    Shared-Memory Parallelization of the Fast Marching Method Using an Overlapping Domain-Decomposition Approach
    High Performance Computing Symposium, ACM

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