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.
 



1215 entries found
with the tags:
  • Nogueira Juan J., Rassbach Sven, Ochsenfeld Christian, Gonzalez Leticia
    Effect of DNA Environment on Electronically Excited States of Methylene Blue Evaluated by a Three-Layered QM/QM/MM ONIOM Scheme
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 4298 (2018)
  • Szabo Paul S., Chiba Rimpei, Biber Herbert, Stadlmayr Reinhard, Berger Bernhard M., Mayer Daniel, Mutzke Andreas, Doppler Michael, Sauer Markus, Appenroth Julia, Fleig Juergen, Foelske-Schmitz Annette, Hutter Herbert, Mezger Klaus, Lammer Helmut, Galli An
    Solar wind sputtering of wollastonite as a lunar analogue material - Comparisons between experiments and simulations
    ICARUS 314, 98 (2018)
  • Mair Alexander, Tung Clarion, Cacciuto Angelo, Coluzza Ivan
    Translocation of a globular polymer through a hairy pore
    JOURNAL OF MOLECULAR LIQUIDS 265, 603 (2018)
  • Tripathi Mukesh, Mittelberger Andreas, Pike Nicholas A., Mangler Clemens, Meyer Jannik C., Verstraete Matthieu J., Kotakoski Jani, Susi Toma
    Electron-Beam Manipulation of Silicon Dopants in Graphene
    NANO LETTERS 18, 5319 (2018)
  • Exl Lukas
    A magnetostatic energy formula arising from the L-2-orthogonal decomposition of the stray field
    JOURNAL OF MATHEMATICAL ANALYSIS AND APPLICATIONS 467, 230 (2018)
  • Kruger Michael, Lemell Christoph, Wachter Georg, Burgdoerfer Joachim, Hommelhoff Peter
    Attosecond physics phenomena at nanometric tips
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 51, 172001 (2018)
  • Burian Max, Karner Carina, Yarema Maksym, Heiss Wolfgang, Amenitsch Heinz, Dellago Christoph, Lechner Rainer T.
    A Shape-Induced Orientation Phase within 3D Nanocrystal Solids
    ADVANCED MATERIALS 30, 1802078 (2018)
  • Duerrbeck Stefan, Hollerer Michael, Thurner Christoph W., Redinger Josef, Sterrer Martin, Bertel Erminald
    Correlation length and dimensional crossover in a quasi-one-dimensional surface system
    PHYSICAL REVIEW B 98, 035436 (2018)
  • Held M., Wiesenberger M., Kube R., Kendl A.
    Non-Oberbeck-Boussinesq zonal flow generation
    NUCLEAR FUSION 58, 104001 (2018)
  • Titvinidze Irakli, Sorantin Max E., Dorda Antonius, von der Linden Wolfgang, Arrigoni Enrico
    Charge redistribution in correlated heterostuctures within nonequilibrium real-space dynamical mean-field theory
    PHYSICAL REVIEW B 98, 035146 (2018)
  • Hubin Aliaksandr, Storvik Geir
    Mode jumping MCMC for Bayesian variable selection in GLMM
    COMPUTATIONAL STATISTICS & DATA ANALYSIS 127, 281 (2018)
  • Stadlmayr R., Szabo P. S., Berger B. M., Cupak C., Chiba R., Bloech D., Mayer D., Stechauner B., Sauer M., Foelske-Schmitz A., Oberkofler M., Schwarz-Selinger T., Mutzke A., Aumayr F.
    Fluence dependent changes of surface morphology and sputtering yield of iron: Comparison of experiments with SDTrimSP-2D
    NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 430, 42 (2018)
  • Tubiana Luca, Jurasek Miroslav, Coluzza Ivan
    Implementing efficient concerted rotations using Mathematica and C code
    EUROPEAN PHYSICAL JOURNAL E 41, 87 (2018)
  • Susi Toma, Scardamaglia Mattia, Mustonen Kimmo, Tripathi Mukesh, Mittelberger Andreas, Al-Hada Mohamed, Amati Matteo, Sezen Hikmet, Zeller Patrick, Larsen Ask H., Mangler Clemens, Meyer Jannik C., Gregoratti Luca, Bittencourt Carla, Kotakoski Jani
    Intrinsic core level photoemission of suspended monolayer graphene
    PHYSICAL REVIEW MATERIALS 2, 074005 (2018)
  • Lahnsteiner Jonathan, Kresse Georg, Heinen Jurn, Bokdam Menno
    Finite-temperature structure of the MAPbI(3) perovskite: Comparing density functional approximations and force fields to experiment
    PHYSICAL REVIEW MATERIALS 2, 073604 (2018)
  • Borbely S., Tong X-M, Nagele S., Feist J., Brezinova I, Lackner F., Nagy L., Tokesi K., Burgdoerfer J.
    Electron correlations in the antiproton energy-loss distribution in He
    PHYSICAL REVIEW A 98, 012707 (2018)
  • Wruss Elisabeth, Zojer Egbert, Hofmann Oliver T.
    Distinguishing between Charge-Transfer Mechanisms at Organic/Inorganic Interfaces Employing Hybrid Functionals
    JOURNAL OF PHYSICAL CHEMISTRY C 122, 14640 (2018)
  • Harivyasi Shashank S., Hofmann Oliver T., Ilyas Nahid, Monti Oliver L. A., Zojer Egbert
    van der Waals Interaction Activated Strong Electronic Coupling at the Interface between Chloro Boron-Subphthalocyanine and Cu(111)
    JOURNAL OF PHYSICAL CHEMISTRY C 122, 14621 (2018)
  • Jayaraman Kumaresan, Morley Alex N., Szollosi Daniel, Wassenaar Tsjerk A., Sitte Harald H., Stockner Thomas
    Dopamine transporter oligomerization involves the scaffold domain, but spares the bundle domain
    PLOS COMPUTATIONAL BIOLOGY 14, e1006229 (2018)
  • Simbrunner Josef, Simbrunner Clemens, Schrode Benedikt, Roethel Christian, Bedoya-Martinez Natalia, Salzmann Ingo, Resel Roland
    Indexing of grazing-incidence X-ray diffraction patterns: the case of fibre-textured thin films
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 74, 373 (2018)
  • Weinbub Josef, Ballicchia Mauro, Nedjalkov Mihail
    Electron Interference in a Double-Dopant Potential Structure
    PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS 12, 1800111 (2018)
  • Burian Max, Rigodanza Francesco, Demitri Nicola, Dordevic Luka, Marchesan Silvia, Steinhartova Tereza, Letofsky-Papst Ilse, Khalakhan Ivan, Mourad Eleonore, Freunberger Stefan A., Amenitsch Heinz, Prato Maurizio, Syrgiannis Zois
    Inter-Backbone Charge Transfer as Prerequisite for Long-Range Conductivity in Perylene Bisimide Hydrogels
    ACS NANO 12, 5800 (2018)
  • Boehm Alexander, Meusemann Karen, Misof Bernhard, Pass Guenther
    Hypothesis on monochromatic vision in scorpionflies questioned by new transcriptomic data
    SCIENTIFIC REPORTS 8, 9872 (2018)
  • Chalupa P., Gunacker P., Schaefer T., Held K., Toschi A.
    Divergences of the irreducible vertex functions in correlated metallic systems: Insights from the Anderson impurity model
    PHYSICAL REVIEW B 97, 245136 (2018)
  • Zojer Egbert
    Electrostatic vs. quantum-mechanical coupling in self-assembled monolayers and its impact on ballistic transport through self-assembled monolayers
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, (2018)
  • Zobel J. Patrick, Heindl Moritz, Nogueira Juan J., Gonzalez Leticia
    Vibrational Sampling and Solvent Effects on the Electronic Structure of the Absorption Spectrum of 2-Nitronaphthalene
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 3205 (2018)
  • Goger Brigitta, Rotach Mathias W., Gohm Alexander, Fuhrer Oliver, Stiperski Ivana, Holtslag Albert A. M.
    The Impact of Three-Dimensional Effects on the Simulation of Turbulence Kinetic Energy in a Major Alpine Valley
    BOUNDARY-LAYER METEOROLOGY 168, 1 (2018)
  • Singraber Andreas, Morawietz Tobias, Behler Joerg, Dellago Christoph
    Density anomaly of water at negative pressures from first principles
    JOURNAL OF PHYSICS-CONDENSED MATTER 30, 254005 (2018)
  • Wirnsberger P., Dellago C., Frenkel D., Reinhardt A.
    Theoretical Prediction of Thermal Polarization
    PHYSICAL REVIEW LETTERS 120, 226001 (2018)
  • Nedjalkov Mihail, Ellinghaus Paul, Weinbub Josef, Sadi Toufik, Asenov Asen, Dimov Ivan, Selberherr Siegfried
    Stochastic analysis of surface roughness models in quantum wires
    COMPUTER PHYSICS COMMUNICATIONS 228, 30 (2018)

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