Publications
Journal Article (2)
1.
Journal Article
79, 184406, pp. 184406-1 - 184406-5 (2009)
Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations. Physical Review B 2.
Journal Article
80, pp. 4 - 8 (2009)
Steel design from fully parameter-free ab initio computer simulations. Steel Research International Talk (8)
3.
Talk
Considerations on the magnetic contribution to the free energy of Fe and related alloys. MCA-Fe. International workshop "Modern computational approaches in iron based alloys”, Ekaterinburg, Russia (2009)
4.
Talk
Towards a first-principles understanding of the iron phase diagram. Euromat 2009, Glasgow, UK (2009)
5.
Talk
First principles simulation of thermodynamic properties of iron and iron-based alloys. Thermec'2009. International conference on processing & manufacturing of advanced materials, Berlin, Germany (2009)
6.
Talk
The accuracy of first principles methods inpredicting thermodynamic properties of metals. XVIII International Material Research Conference, Cancun, Mexico (2009)
7.
Talk
Ab Initio Thermodynamics: Status, applications and challenges. The second Sino-German Symposium on “Computational Thermodynamics and Kinetics and Their Applications to Solidification”, Kornelimünster/Aachen, Germany (2009)
8.
Talk
The accuracy of first principles methods in predicting thermodynamic properties of metals. Asia Steel 2009, Busan, South Korea (2009)
9.
Talk
The free energy of iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. DPG Spring Meeting 2009, Dresden, Germany (2009)
10.
Talk
Ab initio steel design: Achievements and challenges. Scientific Advisory Board Meeting 2009, MPI für Eisenforschung GmbH, Düsseldorf, Düsseldorf, Germany (2009)
Poster (3)
11.
Poster
Magnetic contributions to the Thermodynamics of iron and Cementite. 448. WE-Heraeus-Seminar "Excitement in magnetism", Ringberg Castle, Tegernsee, Germany (2009)
12.
Poster
Magnetic contributions to the free energy of iron. ICAMS Scientific and Industrial Advisory Board Meeting, Bochum, Germany (2009)
13.
Poster
The free energy of iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)