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.
 



834 entries found
with the tags:
  • 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)
  • Rovigatti Lorenzo, Capone Barbara, Likos Christos N.
    Soft self-assembled nanoparticles with temperature-dependent properties
    NANOSCALE 8, 3288 (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)
  • Aquilante Francesco, Autschbach Jochen, Carlson Rebecca K., Chibotaru Liviu F., Delcey Mickael G., De Vico Luca, Galvan Ignacio Fdez, Ferre Nicolas, Frutos Luis Manuel, Gagliardi Laura, Garavelli Marco, Giussani Angelo, Hoyer Chad E., Li Manni Giovanni, L
    Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
    JOURNAL OF COMPUTATIONAL CHEMISTRY 37, 506 (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)
  • Muthsam, Herbert J., Kupka, Friedrich
    Multidimensional modelling of classical pulsating stars
    Konkoly Observatory, Budapest
  • 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
  • A. Morhammer, K. Rupp, F. Rudolf, J. Weinbub
    Optimized Sparse Matrix-Matrix Multiplication for Multi-Core CPUs, GPUs and MICs
    Austrian HPC Meeting 2016
    VSC project: 70769
  • DeSalvo B. J., Aman J. A., Dunning F. B., Killian T. C., Sadeghpour H. R., Yoshida S., Burgdoerfer J.
    Ultra-long-range Rydberg molecules in a divalent atomic system
    PHYSICAL REVIEW A 92, 1403 (2015)
    VSC project: 70364
  • Feldbauer G., Wolloch M., Bedolla P. O., Mohn P., Redinger J., Vernes A.
    Adhesion and material transfer between contacting Al and TiN surfaces from first principles
    PHYSICAL REVIEW B 91, 5413 (2015)
    VSC project: 70261
  • Nogueira Juan J., Oppel Markus, Gonzalez Leticia
    Enhancing Intersystem Crossing in Phenotiazinium Dyes by Intercalation into DNA
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54, 4375 (2015)
    VSC project: 70570
  • Flouri T., Izquierdo-Carrasco F., Darriba D., Aberer A. J., Nguyen L. -T., Minh B. Q., Von Haeseler A., Stamatakis A.
    The Phylogenetic Likelihood Library
    SYSTEMATIC BIOLOGY 64, 356 (2015)
    VSC project: 70332
  • Crespo-Hernandez Carlos E, Martinez-Fernandez Lara, Rauer Clemens, Reichardt Christian, Mai Sebastian, Pollum Marvin, Marquetand Philipp, Gonzalez Leticia, Corral Ines
    Electronic and structural elements that regulate the excited-state dynamics in purine nucleobase derivatives.
    Journal of the American Chemical Society 137, 4368 (2015)

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