Publications
Book Chapter (1)
1.
Book Chapter
Handling Time and Temperature in Materials Simulation. In: Characterization of Materials, 2nd Edition (Ed. Kaufman, E. N.). WILEY (2012)
Talk (9)
2.
Talk
Extending the concept of semiconductor defect chemistry to electrochemistry. CMD-24/ECOSS-29/ECSCD-11, Edinburgh, UK (2012)
3.
Talk
Extending thermodynamic concepts combined with first-principles calculations to address questions related to aqueous corrosion: Potential and challenges. Seminar talk at Universität Ulm, Lehrstuhl für Theoretische Chemie, Ulm, Germany (2012)
4.
Talk
Ab-initio Study on Liquid Metal Embrittlement in the Fe/Zn System. DPG Frühjahrstagung 2012, Bochum, Germany (2012)
5.
Talk
Interactions of 2nd row high electron affinity elements with Mg(0001). DPG Frühjahrstagung 2012, Berlin, Germany (2012)
6.
Talk
On the accuracy of ion hydration energies - An ab-initio study. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
7.
Talk
Ab initio study of stability of Fe3Al surfaces in contact with an oxygen atmosphere. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
8.
Talk
Extending the concept of semiconductor defect chemistry to electro-chemistry: Potential and challenges. Seminar talk at Lehrstuhl für Theoretische Chemie, Universität Duisburg-Essen, Essen, Germany (2012)
9.
Talk
Combining ab initio calculations with thermodynamic concepts to address questions related to aqueous corrosion. Seminar talk at Lehrstuhr für Theoretische Chemie, TU München, München, Germany (2012)
10.
Talk
Ab initio study of stability of Fe3Al surfaces in contact with an oxygen atmosphere. 1st Austrian/German Workshop on Computational Materials Design, Kramsach, Austria (2012)
Poster (2)
11.
Poster
On the accuracy of ion hydration enegies - An ab-initio study. Gordon Research Conference ''Corrosion - Aqueous'', Colby-Sawyer College, New London, NH, USA (2012)
12.
Poster
Ab-initio Study on Liquid Metal Embrittlement in the Fe/Zn System. International Workshop on Ab initio Description of Iron and Steel (ADIS2012), Ringberg, Germany (2012)