Publications
Talk (16)
1.
Talk
From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. Phonon Workshop, Krakau, Poland (2007)
2.
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)
3.
Talk
First principles Determination of Phase Transitions in Magnetic Shape Memory Alloys. MRS Fall Meeting 2007, Boston, MA, USA (2007)
4.
Talk
Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity. PAW workshop 2007, Goslar, Germany (2007)
5.
Talk
First ab initio determination of the phase transformation of Ni_{2}MnGa: The pre-martensitic transition. e-MRS 2007 Fall Meeting, Warsaw, Poland (2007)
6.
Talk
From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. Euromat 2007, European Congress on Advanced Materials and Processes, Nürnberg, Germany (2007)
7.
Talk
Ab initio prediction of structural and thermodynamic properties of magnetic shape memory alloys. Euromat 2007, European Congress on Advanced Materials and Processes, Nürnberg, Germany (2007)
8.
Talk
Determination of symmetry-reduced structures by a soft-phonon analysis in magnetic shape memory alloys. Physics Seminar of Loughborough University, Loughborough, UK (2007)
9.
Talk
Department of Computational Materials Design: Present activities and future research. Guided tour in the MPIE of IMPRS-SurMat, Duesseldorf, Germany (2007)
10.
Talk
Ab initio calculation of free energies and thermodynamic properties of fcc metals. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
11.
Talk
Implementation and application of the k.p-formalism to electronic structure and Coulomb matrix elements. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
12.
Talk
Ab initio determination of symmetry-reduced structures by a soft-phonon analysis in Ni_{2}MnGa. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
13.
Talk
Ab initio prediction of structural and thermodynamic properties of magnetic shape memory alloys. Focus meeting of the SPP 1239: Fundamentals of the Magnetic Shape Memory Effect: Materials properties & simulations, Schloss Ringberg, Germany (2007)
14.
Talk
Ab initio prediction of structural and thermodynamic properties of metals. Seminar Abt. Jansen, MPI für Festkörperforschung, Stuttgart, Germany (2007)
15.
Talk
From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. MMM Workshop, Barcelona, Spain (2007)
16.
Talk
Ab initio prediction of structural and thermodynamic properties of metals. International Max-Planck Workshop on Multiscale Materials Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
Poster (5)
17.
Poster
A first principle determination of phase transitions in magnetic shape memory alloys. Multiscale approach to alloys: Advances and challenges, Stockholm, Sweden (2007)
18.
Poster
Determination of symmetry reduced structures by a soft-phonon analysis in magnetic shape memory alloys. Theory meets industry. The impact of density-functional calculation on materials science, Vienna, Austria (2007)
19.
Poster
Towards an ab initio determination of the phase transformations of Ni2MnGa. Fokus-Treffen of the SPP 1239, Schloss Ringberg, Germany (2007)
20.
Poster
Accuracy and error bars of DFT calculated thermodynamic properties for elementary metals. 13th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy (2007)