Publications per year
Publications per year
Publications
- 15 results
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2023
The central role of density functional theory in the AI age
Huang, B., von Rudorff, G. F. & von Lilienfeld, O. A., 14 Jul 2023, In: Science. 381, 6654, p. 170-175 6 p.Publications: Contribution to journal › Review › Peer Reviewed
Open Access -
2021
Ab Initio Machine Learning in Chemical Compound Space
Huang, B. & von Lilienfeld, O. A., 25 Aug 2021, In: Chemical Reviews. 121, 16, p. 10001-10036 36 p.Publications: Contribution to journal › Review › Peer Reviewed
Open Access -
Advanced First-Principle Modeling of RelativisticRuddlesden—Popper Strontium Iridates
Liu, P. & Franchini, C., 2 Mar 2021, In: Applied Sciences (Switzerland). 11, 6, 26 p., 2527.Publications: Contribution to journal › Review › Peer Reviewed
Open Access -
Polarons in materials
Franchini, C., Reticcioli, M., Setvín, M. & Diebold, U., Jul 2021, In: Nature Reviews Materials. 6, 7, p. 560–586 27 p.Publications: Contribution to journal › Review › Peer Reviewed
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2016
Intermetallic Compounds as Selective Heterogeneous Catalysts: Insights from DFT
Krajčí, M. & Hafner, J., 7 Jan 2016, In: ChemCatChem. 8, 1, p. 34–48 15 p.Publications: Contribution to journal › Review › Peer Reviewed
Open Access -
2014
Hybrid functionals applied to perovskites
Franchini, C., 25 Jun 2014, In: Journal of Physics: Condensed Matter. 26, 25, 16 p., 253202.Publications: Contribution to journal › Review › Peer Reviewed
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2010
Low-dimensional surface oxides in the oxidation of Rh particles
Mittendorfer, F., 2010, In: Journal of Physics: Condensed Matter. 22, 39, 11 p., 393001.Publications: Contribution to journal › Review › Peer Reviewed
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2006
Ab-initio study of a quasiperiodic Bi monolayer on a fivefold icosahedral Al-Pd-Mn surface
Krajci, M. & Hafner, J., 2006, In: Philosophical Magazine. 86, 6-8, p. 825-830 6 p.Publications: Contribution to journal › Review › Peer Reviewed
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Ab-initio study on the exciton binding energies in organic semiconductors
Hummer, K., Puschnig, P., Sagmeister, S. & Ambrosch-Draxl, C., 10 Mar 2006, In: Modern Physics Letters B: condensed matter physics; statistical physics and applied physic. 20, 6, p. 261-280 20 p.Publications: Contribution to journal › Review › Peer Reviewed
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Producing bulk ultrafine-grained materials by severe plastic deformation
Valiev, R. Z., Estrin, Y., Horita, Z., Langdon, T. G., Zehetbauer, M. & Zhu, Y. T., 2006, In: J O M. 58, 4, p. 33-39 7 p.Publications: Contribution to journal › Review › Peer Reviewed
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Small-angle X-ray scattering to characterize nanostructures in inorganic and hybrid materials chemistry
Peterlik, H. & Fratzl, P., 2006, In: Monatshefte für Chemie. 137, 5, p. 529-543 15 p.Publications: Contribution to journal › Review › Peer Reviewed
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Surface oxides on close-packed surfaces of late transition metals
Lundgren, E., Mikkelsen, A., Andersen, J. N., Kresse, G., Schmid, M. A. & Varga, P., 2006, In: Journal of Physics: Condensed Matter. 18, 30, p. 481-499 19 p.Publications: Contribution to journal › Review › Peer Reviewed
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2003
Diffusion mechanism of iron in ternary (Ni,Fe)Al alloys with B2-structure
Rennhofer, M., Sepiol, B., Löser, W. & Vogl, G., 2003, In: Intermetallics. 11, 6, p. 573-580 8 p.Publications: Contribution to journal › Review › Peer Reviewed
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2002
Investigation of the microstructural evolution during large strain cold working of metals by means of synchrotron radiation - A comparative overview
Zehetbauer, M., Schafler, E., Ungar, T., Kopacz, I. & Bernstorff, S., 2002, In: Journal of Engineering Materials and Technology. 124, 1, p. 41-47 7 p.Publications: Contribution to journal › Review › Peer Reviewed
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2001
Relationship of strength and defects of ceramic materials and their treatment by Weibull theory
Peterlik, H., 2001, In: Journal of the Ceramic Society of Japan. 109, 1272, p. 121-126 6 p.Publications: Contribution to journal › Review › Peer Reviewed
Open Access