| Austrian initiative on high performance computing |  |
 |
 |
 |
 |
 |
 |
 |
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.
142 entries found
-
Jones Andrew OF, Rothel Christian, Lassnig Roman, Bedoya-Martinez ON, Christian Paul, Salzmann Ingo, Kunert Birgit, Winkler Adolf, Resel Roland
CCDC 1528520: Experimental Crystal Structure Determination
Cambridge Structural Database None, (2017) -
Obersteiner Veronika, Huhs Georg, Papior Nick R, Zojer Egbert
Unconventional Current Scaling and Edge Effects for Charge Transport through Molecular Clusters.
Nano letters None, (2017) -
Cooper Paige E, McClenaghan Conor, Chen Xingyu, Stary-Weinzinger Anna, Nichols Colin G
Conserved functional consequences of disease-associated mutations in the slide-helix of Kir6.1 and Kir6.2 subunits of the ATP-sensitive potassium channel.
The Journal of biological chemistry None, (2017) -
Gardner Alison, Wu Wei, Thomson Steven, Zangerl-Plessl Eva-Maria, Stary-Weinzinger Anna, Sanguinetti Michael
Molecular basis of altered hERG1 channel gating induced by ginsenoside Rg3.
Molecular pharmacology None, (2017) -
Mirzayev Rasim, Mustonen Kimmo, Monazam Mohammad R A, Mittelberger Andreas, Pennycook Timothy J, Mangler Clemens, Susi Toma, Kotakoski Jani, Meyer Jannik C
Buckyball sandwiches.
Science advances 3, e1700176 (2017) -
Georgieva Ivelina, Aquino Adelia J A, Trendafilova Natasha, Lischka Hans
High-level Ab Initio Absorption Spectra Simulations of Neutral, Anionic and Neutral+ Chromophore of Green Fluorescence Protein Chromophore Models in Gas Phase and Solution.
Photochemistry and photobiology None, (2017) -
Bernsteiner Harald, Brundl Michael, Stary-Weinzinger Anna
Dynamics of the EAG1 K
Biochemical and biophysical research communications 484, 107 (2017) -
Shabbir H., Hartmann M. A.
Influence of reversible cross-link coordination on the mechanical behavior of a linear polymer chain
NEW JOURNAL OF PHYSICS 19, 093024 (2017) -
Karagoz G. Elif, Acosta-Alvear Diego, Nguyen Hieu T., Lee Crystal P., Chu Feixia, Walter Peter
An unfolded protein-induced conformational switch activates mammalian IRE1
ELIFE 6, e30700 (2017) -
Ossowski Jakub, Nascimbeni Giulia, Zaba Tomasz, Verwuester Elisabeth, Rysz Jakub, Terfort Andreas, Zharnikov Michael, Zojer Egbert, Cyganik Piotr
Relative Thermal Stability of Thiolate- and Selenolate-Bonded Aromatic Monolayers on the Au(111) Substrate
JOURNAL OF PHYSICAL CHEMISTRY C 121, 28031 (2017) -
Ribic T., Gunacker P., Iskakov S., Wallerberger M., Rohringer G., Rubtsov A. N., Gull E., Held K.
Role of three-particle vertex within dual fermion calculations
PHYSICAL REVIEW B 96, 235127 (2017) -
Alamdary Daryoush Nosraty, Kotakoski Jani, Susi Toma
Structure and Energetics of Embedded Si Patterns in Graphene
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 254, 1700188 (2017) -
Zamborlini Giovanni, Lueftner Daniel, Feng Zhijing, Kollmann Bernd, Puschnig Peter, Dri Carlo, Panighel Mirko, Di Santo Giovanni, Goldoni Andrea, Comelli Giovanni, Jugovac Matteo, Feyer Vitaliy, Schneider Claus Michael
Multi-orbital charge transfer at highly oriented organic/metal interfaces (vol 8, 335, 2017)
NATURE COMMUNICATIONS 8, 14 (2017) -
Dumitraschkewitz Phillip, Clemens Helmut, Mayer Svea, Holec David
Impact of Alloying on Stacking Fault Energies in gamma-TiAl
APPLIED SCIENCES-BASEL 7, 1193 (2017) -
Simonka Vito, Hossinger Andreas, Weinbub Josef, Selberherr Siegfried
ReaxFF Reactive Molecular Dynamics Study of Orientation Dependence of Initial Silicon Carbide Oxidation
JOURNAL OF PHYSICAL CHEMISTRY A 121, 8791 (2017) -
Jiang Wei-Chao, Nagele Stefan, Burgdorfer Joachim
Observing electron-correlation features in two-photon double ionization of helium
PHYSICAL REVIEW A 96, 053422 (2017) -
Perthold Jan Walther, Oostenbrink Chris
Simulation of Reversible Protein-Protein Binding and Calculation of Binding Free Energies Using Perturbed Distance Restraints
JOURNAL OF CHEMICAL THEORY AND COMPUTATION 13, 5697 (2017) -
Bianco Valentino, Pages-Gelabert Neus, Coluzza Ivan, Franzese Giancarlo
How the stability of a folded protein depends on interfacial water properties and residue-residue interactions
JOURNAL OF MOLECULAR LIQUIDS 245, 129 (2017) -
Nieman Reed, Aquino Adelia J. A., Hardcastle Trevor P., Kotakoski Jani, Susi Toma, Lischka Hans
Structure and electronic states of a graphene double vacancy with an embedded Si dopant
JOURNAL OF CHEMICAL PHYSICS 147, 194702 (2017) -
Hofmann O. T., Glowatzki H., Buerker C., Rangger G. M., Broeker B., Niederhausen J., Hosokai T., Salzmann I., Blum R. -P., Rieger R., Vollmer A., Rajput P., Gerlach A., Muellen K., Schreiber F., Zojer E., Koch N., Duhm S.
Orientation-Dependent Work-Function Modification Using Substituted Pyrene-Based Acceptors
JOURNAL OF PHYSICAL CHEMISTRY C 121, 24657 (2017) -
Donsa Stefan, Hofstaetter Harald, Koch Othmar, Burgdoerfer Joachim, Brezinova Iva
Long-time expansion of a Bose-Einstein condensate: Observability of Anderson localization
PHYSICAL REVIEW A 96, 043630 (2017) -
Vollath Dieter, Holec David, Fischer Franz Dieter
Au-55, a stable glassy cluster: results of ab initio calculations
BEILSTEIN JOURNAL OF NANOTECHNOLOGY 8, 2221 (2017) -
Baby Anu, Gruenewald Marco, Zwick Christian, Otto Felix, Forker Roman, van Straaten Gerben, Franke Markus, Stadtmueller Benjamin, Kumpf Christian, Brivio Gian Paolo, Fratesi Guido, Fritz Torsten, Zojer Egbert
Fully Atomistic Understanding of the Electronic and Optical Properties of a Prototypical Doped Charge-Transfer Interface
ACS NANO 11, 10495 (2017) -
Hariki Atsushi, Hausoel Andreas, Sangiovanni Giorgio, Kunes Jan
DFT plus DMFT study on soft moment magnetism and covalent bonding in SrRu2O6
PHYSICAL REVIEW B 96, 155135 (2017) -
Khunweeraphong Narakorn, Stockner Thomas, Kuchler Karl
' The structure of the human ABC transporter ABCG2 reveals a novel mechanism for drug extrusion
SCIENTIFIC REPORTS 7, 13767 (2017) -
Moritz Clemens, Troester Andreas, Dellago Christoph
Interplay of fast and slow dynamics in rare transition pathways: The disk-to-slab transition in the 2d Ising model
JOURNAL OF CHEMICAL PHYSICS 147, 152714 (2017) -
Leitner (Babinsky) K., Felfer P. J., Holec D., Cairney J., Knabl W., Lorich A., Clemens H., Primig S.
On grain boundary segregation in molybdenum materials
MATERIALS & DESIGN 135, 204 (2017) -
Kraberger Gernot J., Triebl Robert, Zingl Manuel, Aichhorn Markus
Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions
PHYSICAL REVIEW B 96, 155128 (2017) -
Whalen J. D., Camargo F., Ding R., Killian T. C., Dunning F. B., Perez-Rios J., Yoshida S., Burgdoerfer J.
Lifetimes of ultralong-range strontium Rydberg molecules in a dense Bose-Einstein condensate
PHYSICAL REVIEW A 96, 042702 (2017) -
Bokdam Menno, Lahnsteiner Jonathan, Ramberger Benjamin, Schaefer Tobias, Kresse Georg
Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites
PHYSICAL REVIEW LETTERS 119, 145501 (2017)
10.5517/ccdc.csd.cc1n9k3m
Search results 1 until 30 of 142
© VSC - Vienna Scientific Cluster