Publications

Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods. / Brandenburg, Jan Gerit; Zen, Andrea; Fitzner, Martin et al.
In: The Journal of Physical Chemistry Letters, Vol. 10, No. 3, 07.02.2019, p. 358-368.

Publications: Contribution to journal › Article › Peer Reviewed

Energetics of the coupled electronic–structural transition in the rare-earth nickelates. / Hampel, Alexander (Corresponding author); Liu, Peitao; Franchini, Cesare et al.
In: npj Quantum Materials, Vol. 4, No. 1, 5, 06.02.2019.

Publications: Contribution to journal › Article › Peer Reviewed

A High Coordination of Cross-Links Is Beneficial for the Strength of Cross-Linked Fibers. / Shabbir, Huzaifa; Dellago, Christoph; Hartmann, Markus A. (Corresponding author).
In: Biomimetics, Vol. 4, No. 1, 12, 04.02.2019.

Publications: Contribution to journal › Article › Peer Reviewed

Direct visualization of the 3D structure of silicon impurities in graphene. / Hofer, Christoph (Corresponding author); Skakalova, Viera; Monazam, Mohammad R.A. et al.
In: Applied Physics Letters, Vol. 114, No. 5, 053102, 04.02.2019.

Publications: Contribution to journal › Article › Peer Reviewed

Efficient first principles simulation of electron scattering factors for transmission electron microscopy. / Susi, Toma (Corresponding author); Madsen, Jacob; Ludacka, Ursula et al.
In: Ultramicroscopy, Vol. 197, 01.02.2019, p. 16-22.

Publications: Contribution to journal › Article › Peer Reviewed

Design of Protein-Protein Binding Sites Suggests a Rationale for Naturally Occurring Contact Areas. / Nerattini, Francesca; Tubiana, Luca; Cardelli, Chiara et al.
In: Journal of Chemical Theory and Computation, Vol. 15, No. 2, 02.2019, p. 1383-1392.

Publications: Contribution to journal › Article › Peer Reviewed

Exploring density functional subspaces with genetic algorithms. / Gastegger, Michael; González, Leticia; Marquetand, Philipp (Corresponding author).
In: Monatshefte für Chemie, Vol. 150, No. 2, 02.2019, p. 173–182.

Publications: Contribution to journal › Article › Peer Reviewed

Rapid Water Softening with TEMPO-Oxidized/Phosphorylated Nanopapers. / Mautner, Andreas (Corresponding author); Kobkeatthawin, Thawanrat; Mayer, Florian et al.
In: Nanomaterials, Vol. 9, No. 2, 136, 02.2019.

Publications: Contribution to journal › Article › Peer Reviewed

Structure and stimuli-responsiveness of all-DNA dendrimers: theory and experiment. / Jochum, Clemens; Adzic, Natasa (Corresponding author); Stiakakis, Emmanuel et al.
In: Nanoscale, Vol. 11, No. 4, 28.01.2019, p. 1604-1617.

Publications: Contribution to journal › Article › Peer Reviewed

Ab initio thermodynamics of liquid and solid water. / Cheng, Bingqing (Corresponding author); Engel, Edgar A.; Behler, Joerg et al.
In: Proceedings of the National Academy of Sciences of the United States of America (PNAS), Vol. 116, No. 4, 22.01.2019, p. 1110-1115.

Publications: Contribution to journal › Article › Peer Reviewed

Enhanced fracture toughness of hierarchical carbon nanotube reinforced carbon fibre epoxy composites with engineered matrix microstructure. / Abidin, M. Shukur Zainol; Herceg, Tomi; Greenhalgh, Emile S. (Corresponding author) et al.
In: Composites Science and Technology, Vol. 170, 20.01.2019, p. 85-92.

Publications: Contribution to journal › Article › Peer Reviewed

Supracolloidal magnetic polymer-like aggregates: structural properties of self-assembled pairs. / Novak, Ekaterina; Pyanzina, Elena S. (Corresponding author); Rozhkov, Dmitriy et al.
In: Journal of Magnetism and Magnetic Materials, Vol. 470, 15.01.2019, p. 22-27.

Publications: Contribution to journal › Article › Peer Reviewed

Surface relief of magnetoactive elastomeric films in a homogeneous magnetic field: molecular dynamics simulations. / Sánchez, Pedro A.; Minina, Elena; Kantorovich, Sofia (Corresponding author) et al.
In: Soft Matter, Vol. 15, No. 2, 14.01.2019, p. 175-189.

Publications: Contribution to journal › Article › Peer Reviewed

Interplay between Adsorbates and Polarons: CO on Rutile TiO2(110). / Reticcioli, Michele; Sokolovic, Igor; Schmid, Michael et al.
In: Physical Review Letters, Vol. 122, No. 1, 016805, 09.01.2019.

Publications: Contribution to journal › Article › Peer Reviewed

Highly efficient surface hopping dynamics using a linear vibronic coupling model. / Plasser, Felix (Corresponding author); Gomez, Sandra; Menger, Maximilian F. S. J. et al.
In: Physical Chemistry Chemical Physics, Vol. 21, No. 1, 07.01.2019, p. 57-69.

Publications: Contribution to journal › Article › Peer Reviewed

Toward a Predominant Substitutional Bonding Environment in B-Doped Single-Walled Carbon Nanotubes. / Reinoso, Carlos; Berkmann, Claudia; Shi, Lei et al.
In: ACS Omega, Vol. 4, No. 1, 01.2019, p. 1941-1946.

Publications: Contribution to journal › Article › Peer Reviewed

Challenges on the Production and Characterization of B-Doped Single Walled Carbon Nanotubes. / Ayala, Paola (Corresponding author).
Nanoscale Materials for Warfare Agent Detection: Nanoscience for Security. ed. / C. Bittencourt; C. Ewels; E. Llobet. Springer-Verlag Dordrecht, 2019. p. 145-172 (NATO Science for Peace and Security Series A: Chemistry and Biology).

Publications: Contribution to book › Contribution to proceedings › Peer Reviewed

Matter-wave physics with nanoparticles and biomolecules. / Brand, Christian; Eibenberger, Sandra; Sezer, Ugur et al.
Current Trends in Atomic Physics : Lecture notes of the Les Houches Summer School: Volume 106, 4-29 July 2016. ed. / Antoine Browaeys; Thierry Lahaye; Trey Porto; Charles S. Adams; Matthias Weidemüller; Leticia F. Cugliandolo. Vol. 107 Oxford University Press, 2019. p. 367-401.

Publications: Contribution to book › Contribution to proceedings › Peer Reviewed

Some Initiatives to Improve the Situation of Women in Physics in Austria. / Berkmann, Claudia (Corresponding author); Ayala, Paola.
Women in Physics: 6th IUPAP International Conference on Women in Physics. ed. / Chandralekha Singh; Geraldine Cochran; Nicola Wilkin. American Institute of Physics, 2019. (AIP Conference Proceedings, Vol. 2109).

Publications: Contribution to book › Contribution to proceedings › Peer Reviewed

Spectroscopy of Nanocarbon Structures Synthesized in the One-Dimensional Core of Carbon Nanotubes. / Wenseleers, Wim; Martinati, Miles; Cambré, Sofie et al.
In: ECS Meeting Abstracts, Vol. MA2019-01, 716 , 2019.

Publications: Contribution to journal › Meeting abstract/Conference paper › Peer Reviewed