People | Locations | Statistics |
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Ferrari, A. |
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Schimpf, Christian |
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Dunser, M. |
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Thomas, Eric |
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Gecse, Zoltan |
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Tsrunchev, Peter |
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Della Ricca, Giuseppe |
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Cios, Grzegorz |
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Hohlmann, Marcus |
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Dudarev, A. |
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Mascagna, V. |
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Santimaria, Marco |
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Poudyal, Nabin |
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Piozzi, Antonella |
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Mørtsell, Eva Anne |
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Jin, S. |
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Noel, Cédric |
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Fino, Paolo |
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Mailley, Pascal |
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Meyer, Ernst |
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Zhang, Qi |
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Pfattner, Raphael | Brussels |
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Kooi, Bart J. |
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Babuji, Adara |
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Pauporte, Thierry |
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Neugebauer, J.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (20/20 displayed)
- 2023Combined ab initio and experimental screening of phase stabilities in the Ce-Fe-Ti-X system (X = 3d and 4d metals)
- 2022Unveiling nonmonotonic chemical trends in the solubility of H in complex Fe-Cr-Mn carbides by means of ab initio based approachescitations
- 2022Controlled Doping of Electrocatalysts through Engineering Impuritiescitations
- 2022Deep learning framework for uncovering compositional and environmental contributions to pitting resistance in passivating alloyscitations
- 2022Machine learning–enabled high-entropy alloy discoverycitations
- 2021Defect phases–thermodynamics and impact on material propertiescitations
- 2021A Combined Experimental and First-Principles Based Assessment of Finite-Temperature Thermodynamic Properties of Intermetallic Al 3 Sccitations
- 2021Ab initio study of the structural response to magnetic disorder and van der Waals interactions in FeSecitations
- 2021Efficient electronic passivation scheme for computing low-symmetry compound semiconductor surfaces in density-functional theory slab calculations
- 2021Impact of magnetic transition on Mn diffusion in alpha-iron: Correlative state-of-the-art theoretical and experimental studycitations
- 2020Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe 2citations
- 2019Imaging individual solute atoms at crystalline imperfections in metalscitations
- 2019Impact of interstitial C on phase stability and stacking-fault energy of the CrMnFeCoNi high-entropy alloycitations
- 2019Deciphering Charge Transfer and Electronic Polarization Effects at Gold Nanocatalysts on Reduced Titania Supportcitations
- 2019Elasticity of phases in Fe–Al–Ti superalloys: Impact of atomic order and anti-phase boundariescitations
- 2018Atomistic modelling of light-element co-segregation at structural defects in ironcitations
- 2016Deformation-Induced Martensite: A New Paradigm for Exceptional Steelscitations
- 2015Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculationcitations
- 2014Macroscopic elastic properties of textured ZrN-AlN polycrystalline aggregates: From ab initio calculations to grainscale interactionscitations
- 2010L2<sub>1</sub>-ordered Fe-Al-Ti alloyscitations
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