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:
  • Cardelli Chiara, Tubiana Luca, Bianco Valentino, Nerattini Francesca, Dellago Christoph, Coluzza Ivan
    Heteropolymer Design and Folding of Arbitrary Topologies Reveals an Unexpected Role of Alphabet Size on the Knot Population
    MACROMOLECULES 51, 8346 (2018)
  • Triebl Robert, Kraberger Gernot J., Mravlje Jernej, Aichhorn Markus
    Spin-orbit coupling and correlations in three-orbital systems
    PHYSICAL REVIEW B 98, 205128 (2018)
  • Petritz Andreas, Krammer Markus, Sauter Eric, Gaertner Michael, Nascimbeni Giulia, Schrode Benedikt, Fian Alexander, Gold Herbert, Cojocaru Andreea, Karner-Petritz Esther, Resel Roland, Terfort Andreas, Zojer Egbert, Zharnikov Michael, Zojer Karin, Stadlo
    Embedded Dipole Self-Assembled Monolayers for Contact Resistance Tuning in p-Type and n-Type Organic Thin Film Transistors and Flexible Electronic Circuits
    ADVANCED FUNCTIONAL MATERIALS 28, 1804462 (2018)
  • Stooss V., Cavaletto S. M., Donsa S., Blaettermann A., Birk P., Keitel C. H., Brezinova I., Burgdoerfer J., Ott C., Pfeifer T.
    Real-Time Reconstruction of the Strong-Field-Driven Dipole Response
    PHYSICAL REVIEW LETTERS 121, 173005 (2018)
  • Lackner Peter, Hulva Jan, Koeck Eva-Maria, Mayr-Schmoelzer Wernfried, Choi Joong Il J., Penner Simon, Diebold Ulrike, Mittendorfer Florian, Redinger Josef, Kloetzer Bernhard, Parkinson Gareth S., Schmid Michael
    Water adsorption at zirconia: from the ZrO2(111)/Pt3Zr(0001) model system to powder samples
    JOURNAL OF MATERIALS CHEMISTRY A 6, 17587 (2018)
  • Maas Axel, Toerek Pascal
    The spectrum of an SU(3) gauge theory with a fundamental Higgs field
    ANNALS OF PHYSICS 397, 303 (2018)
  • Reszler Christian, Switanek Matthew Blaise, Truhetz Heimo
    Convection-permitting regional climate simulations for representing floods in small- and medium-sized catchments in the Eastern Alps
    NATURAL HAZARDS AND EARTH SYSTEM SCIENCES 18, 2653 (2018)
  • Mai Sebastian, Gattuso Hugo, Monari Antonio, Gonzalez Leticia
    Novel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems
    FRONTIERS IN CHEMISTRY 6, 495 (2018)
  • Gruber Thomas, Grueneis Andreas
    Ab initio calculations of carbon and boron nitride allotropes and their structural phase transitions using periodic coupled cluster theory
    PHYSICAL REVIEW B 98, 134108 (2018)
  • Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
    Nonadiabatic dynamics: The SHARC approach
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 8, e1370 (2018)
  • Holec David, Kostoglou Nikolaos, Tampaxis Christos, Babic Biljana, Mitterer Christian, Rebholz Claus
    Theory-guided metal-decoration of nanoporous carbon for hydrogen storage applications
    SURFACE & COATINGS TECHNOLOGY 351, 42 (2018)
  • Dhar Himadri Shekhar, Zens Matthias, Krimer Dmitry O., Rotter Stefan
    Variational Renormalization Group for Dissipative Spin-Cavity Systems: Periodic Pulses of Nonclassical Photons from Mesoscopic Spin Ensembles
    PHYSICAL REVIEW LETTERS 121, 133601 (2018)
  • Loboda Oleksandr A., Dolgonos Grygoriy A., Boese A. Daniel
    Towards hybrid density functional calculations of molecular crystals via fragment-based methods
    JOURNAL OF CHEMICAL PHYSICS 149, 124104 (2018)
  • Qin Lin, Redermeier Alice, Dellago Christoph, Kozeschnik Ernst, Karner Carina
    Rigid-lattice Monte Carlo study of nucleation kinetics in dilute bcc Fe-Cu alloys using statistical sampling techniques
    ACTA MATERIALIA 159, 429 (2018)
  • Schnappinger Thomas, Marazzi Marco, Ma Sebastian, Monari Antonio, Gonzalez Leticia, de Vivie-Riedle Regina
    Intersystem Crossing as a Key Component of the Nonadiabatic Relaxation Dynamics of Bithiophene and Terthiophene
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 4530 (2018)
  • Silverstein Nechama, Sliman Alaa, Stockner Thomas, Kanner Baruch I.
    Both reentrant loops of the sodium-coupled glutamate transporters contain molecular determinants of cation selectivity
    JOURNAL OF BIOLOGICAL CHEMISTRY 293, 14200 (2018)
  • Innerbichler Max, Menzl Georg, Dellago Christoph
    State-dependent diffusion coefficients and free energies for nucleation processes from Bayesian trajectory analysis
    MOLECULAR PHYSICS 116, 2987 (2018)
  • Salzillo Tommaso, Giunchi Andrea, Masino Matteo, Bedoya-Martinez Natalia, Della Valle Raffaele G., Brillante Aldo, Girlando Alberto, Venuti Elisabetta
    An Alternative Strategy to Polymorph Recognition at Work: The Emblematic Case of Coronene
    CRYSTAL GROWTH & DESIGN 18, 4869 (2018)
  • Ribic T., Gunacker P., Held K.
    Impact of self-consistency in dual fermion calculations
    PHYSICAL REVIEW B 98, 125106 (2018)
  • Salzillo T., d'Agostino S., Rivalta A., Giunchi A., Brillante A., Della Valle R. G., Bedoya-Martinez N., Zojer E., Grepioni F., Venuti E.
    Structural, Spectroscopic, and Computational Characterization of the Concomitant Polymorphs of the Natural Semiconductor Indigo
    JOURNAL OF PHYSICAL CHEMISTRY C 122, 18422 (2018)
  • Bedoya-Martinez Natalia, Giunchi Andrea, Salzillo Tommaso, Venuti Elisabetta, Della Valle Raffaele Guido, Zojer Egbert
    Toward a Reliable Description of the Lattice Vibrations in Organic Molecular Crystals: The Impact of van der Waals Interactions
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 4380 (2018)
  • 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)

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