Publications
Journal Article (6)
1.
Journal Article
99 (20), 206103 (2007)
Compositional Correlation and Anticorrelation in Quaternary Alloys: Competition Between Bulk Thermodynamics and Surface Kinetics. Physical Review Letters 2.
Journal Article
1 (11), pp. 408 - 418 (2007)
The role of ab initio electronic structure calculations in contemporary materials science - part 2. Journal of Functional Materials 3.
Journal Article
1 (10), pp. 363 - 367 (2007)
The role of ab initio electronic structure calculations in contemporary materials science - part 1. Journal of Functional Materials 4.
Journal Article
55 (13), pp. 4475 - 4487 (2007)
Theory-guided bottom-up design of β-titanium alloys as biomaterials based on first principles calculations: Theory and experiments. Acta Materialia 5.
Journal Article
76 (2), 024309 (2007)
Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends. Physical Review B 6.
Journal Article
601, pp. 4775 - 4785 (2007)
Nitrogen adsorption and thin surface nitrides on Cu(111) from first-principles. Surface Science Talk (66)
7.
Talk
From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. Phonon Workshop, Krakau, Poland (2007)
8.
Talk
Determination of symmetry reduced structures by a soft-phonon analysis in magnetic shape memory alloys. 2nd Workshop on ab initio phonon calculations, Cracow, Poland (2007)
9.
Talk
First principles Determination of Phase Transitions in Magnetic Shape Memory Alloys. MRS Fall Meeting 2007, Boston, MA, USA (2007)
10.
Talk
Ab initio thermodynamic and kinetics based on material design: Present status and perspectives. Seminar at the University of Oxford, Dept. of Materials, Oxford, UK (2007)
11.
Talk
Eigenspannungen am Hummerexoskelett. Sitzung des FA 13 Eigenspannungen am AWT, IFW Dresden, Germany (2007)
12.
Talk
Orientation patterning below indents and Bottom-up mechanical design by using quantum mechanics. Symposium Multiscale Plasticity of Crystalline Materials of the International Union of Theoretical and Applied Mechanics (IUTAM), TU Eindhoven, The Netherlands (2007)
13.
Talk
Phase stability and mechanical properties of alloys. International Max-Planck Workshop on Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
14.
Talk
Solid-Solid interfaces. International Max-Planck Workshop Multiscale Materials Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
15.
Talk
Ab initio thermodynamics. International Max-Planck Workshop Multiscale Materials Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
16.
Talk
First principles study of the anomalous volume-composition effect in Fe-Al and Fe-Ga alloys. 4th Discussion Meeting on the Development of Innovative Iron Aluminum Alloys, Interlaken, Switzerland (2007)
17.
Talk
Ab-initio study of the thermodynamics and kinetics of N at GaAs(001) surface. PAW workshop 2007, Goslar, Germany (2007)
18.
Talk
Ab initio STM and STS simulations on magnetic and nonmagnetic metallic surfaces. Computational Materials Science Workshop, Goslar, Germany (2007)
19.
Talk
Charged Point Defects in Semiconductors. PAW workshop 2007, Goslar, Germany (2007)
20.
Talk
Ab initio study of the thermodynamics and elasticity in polycrystals. PAW workshop 2007, Goslar, Germany (2007)