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.

1156 entries found
with the tags:
  • Floss Isabella, Lemell Christoph, Wachter Georg, Smejkal Valerie, Sato Shunsuke A., Tong Xiao-Min, Yabana Kazuhiro, Burgdoerfer Joachim
    Ab initio multiscale simulation of high-order harmonic generation in solids
    PHYSICAL REVIEW A 97, 011401 (2018)
  • Skakalova Viera, Kotrusz Peter, Jergel Matej, Susi Toma, Mittelberger Andreas, Vretenar Viliam, SiffaloviC Peter, Kotakoski Jani, Meyer Jannik C., Hulman Martin
    Chemical Oxidation of Graphite: Evolution of the Structure and Properties
  • Cervenka Rene, Lukacs Peter, Gawali Vaibhavkumar S., Ke Song, Koenig Xaver, Rubi Lena, Zarrabi Touran, Hilber Karlheinz, Sandtner Walter, Stary-Weinzinger Anna, Todt Hannes
    Distinct modulation of inactivation by a residue in the pore domain of voltage-gated Na+ channels: mechanistic insights from recent crystal structures
    SCIENTIFIC REPORTS 8, 631 (2018)
  • Rauer Clemens, Nogueira Juan J., Marquetand Philipp, Gonzalez Leticia
    Stepwise photosensitized thymine dimerization mediated by an exciton intermediate
    MONATSHEFTE FUR CHEMIE 149, 1 (2018)
  • Wan-Wendner Lin, Wan-Wendner Roman, Cusatis Gianluca
    Age-dependent size effect and fracture characteristics of ultra-high performance concrete
  • Aliaksandr Hubin, Geir Storvik, Florian Frommlet
    A Novel Algorithmic Approach to Bayesian Logic Regression
    Bayesian Analysis
  • Müller Danny, Knoll Christian, Ruh Thomas, Artner Werner, Welch Jan M., Peterlik Herwig, Eitenberger Elisabeth, Friedbacher Gernot, Harasek Michael, Blaha Peter, Hradil Klaudia, Werner Andreas, Weinberger Peter
    Calcium Doping Facilitates Water Dissociation in Magnesium Oxide
  • Höfinger Siegfried, Ruh Thomas, Haunschmid Ernst
    Fast Approximate Evaluation of Parallel Overhead from a Minimal Set of Measured Execution Times
    PARALLEL PROCESSING LETTERS 28, 1850003 (2018)
  • F. Kraushofer, Z. Jakub, M. Bichler, J. Hulva, P. Drmota, M. Weinold, M. Schmid, M. Setvin, U. Diebold, P. Blaha, G. Parkinson:
    Atomic-Scale Structure of the Hematite ?-Fe2O3(1102) "R-Cut" Surface
    The Journal of Physical Chemistry C, 122 (2018), 1657 - 1669.
    VSC project: 70296
  • F. Tran, S. Ehsan, P. Blaha:
    Assessment of the GLLB-SC potential for solid-state properties and attempts for improvement
    Physical Review Materials, 2 (2018), 023802.
    VSC project: 70296
  • S. Ehsan, A. Tröster, F. Tran, P. Blaha:
    DFT study of the electronic properties and the cubic to tetragonal phase transition in RbCaF3
    Physical Review Materials, 2 (2018), 093610.
    VSC project: 70296
  • F. Tran, P. Kovacs, L. Kalantari, G.K.H. Madsen, P. Blaha:
    Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solids"
    Journal of Chemical Physics, 149 (2018), 144105.
    VSC projects: 70296, 71212
  • F. Karsai, M. Humer, E. Flage-Larsen, P. Blaha, G. Kresse:
    Effects of electron-phonon coupling on absorption spectrum: K edge of hexagonal boron nitride
    Physical Review B, 98 (2018), 235205.
    VSC project: 70296
  • Coppola, E., S. Sobolowski, E. Pichelli, F. Raffaele, B. Ahrens, I. Anders, N. Ban, S. Bastin, M. Belda, D. Belusic, A. Caldas-Alvarez, R. M. Cardoso, S. Davolio, A. Dobler, J. Fernandez, L. Fita, Q. Fumiere, F. Giorgi, K. Goergen, I. Güttler, T. Halenka,
    A first-of-its-kind multi-model convection permitting ensemble for investigating convective phenomena over Europe and the Mediterranean
    Climate Dynamics
  • Freddy Florez, Reinhard Prenner, Norbert Krouzecky
    Experimental and numerical investigations of water jets
    Materials Today: Proceedings. Ed. Elsevier
  • Pascal Törek, Axel Maas
    On observable particles in theories with a Brout-Englert-Higgs effect
    Proceedings of Science
  • Pascal Törek, Axel Maas, René Sondenheimer
    A study of how the particle spectra of SU(N) gauge theories with a fundamental Higgs emerge
  • Faulhuber Markus
    A short note on the frame set of odd functions
    Cambridge University Press
  • D. Prenner

  • Schindelegger M., Green J.A.M., Wilmes S.-B., Haigh I.D.
    Can we model the effect of observed sea level rise on tides?
    Journal of Geophysical Research Oceans
  • Emanuele Locatelli, Lorenzo Rovigatti
    An Accurate Estimate of the Free Energy and Phase Diagram of All-DNA Bulk Fluids
  • Gualdani R, Cavalluzzi MM, Tadini-Buoninsegni F, Convertino M, Gailly P, Stary-Weinzinger A, Lentini G.
    Molecular Insights into hERG Potassium Channel Blockade by Lubeluzole.
    Cell Physiol Biochem.
  • E. Arrigoni and A. Dorda
    Master Equations Versus Keldysh Green’s Functions for Correlated Quantum Systems Out of Equilibrium.
  • Brigitta Goger
    Evaluation of a High-Resolution Numerical Weather Prediction Model in Complex Terrain
    University of Innsbruck
    VSC project: 70673
  • Pascal Törek
    The physical spectrum of theories with a Brout-Englert-Higgs effect
    Univ. Graz
    VSC project: 70847
  • Nerattini Francesca
    Computational protein design
    PhD thesis, University of Vienna (2018)
    VSC project: 70743
  • Singraber Andreas
    Designing and training neural network potentials for molecular dynamics simulations
    PhD thesis, University of Vienna (2018)
    VSC project: 70754
  • Gunacker Patrik
    Continuous-time quantum Monte Carlo in the hybridization expansion: implementations and applications
    PhD thesis, TU Wien (2018)
    VSC project: 70808
  • Bianca Buchner
    Complete enumeration of elementary flux modes in metabolic networks
    FH Campus Wien
    VSC project: 71141
  • Aliaksandr Hubin, Geir Storvik, Florian Frommlet
    Deep Bayesian regression models
    VSC project: 71305

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