Publications
Journal Article (2)
1.
Journal Article
81 (13), pp. 134425 - 134434 (2010)
Rescaled Monte Carlo approach for magnetic systems: Ab initio thermodynamics of bcc iron. Physical Review B 2.
Journal Article
34, pp. 129 - 133 (2010)
Thermodynamic properties of cementite (Fe3C). CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry Talk (11)
3.
Talk
Thermodynamic data of Fe-based alloys derived from first principles. MRS Spring Meeting 2010, Boston, MA, USA (2010)
4.
Talk
Phase stabilities of metals at finite temperatures: Ab initio meets CALPHAD. 468. WE-Heraeus-Seminar, Ab intio Description of Iron and Steel (ADIS2010): Mechanical Properties, Ringberg, Germany (2010)
5.
Talk
Integrating finite temperature magnetism into ab initio free energy calculations. ICAMS Scientific Retreat, Akademie Biggesee, Attendorn, Germany (2010)
6.
Talk
The thermodynamics of Fe-based compounds derived from first principles. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
7.
Talk
Using ab initio methods to predict thermodynamic properties of metals. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
8.
Talk
Ab initio Bestimmung thermodynamischer Eigenschaften des Legierungssystems Fe-Mn-C. Sitzung FA Computersimulation der DGM, Aachen, Germany (2010)
9.
Talk
First principles concepts to determine the heat capacity of Fe-based alloys. Calphad XXXIX, Jeju Island, South Korea (2010)
10.
Talk
Ab initio determination of the magnetic free energy contribution of metallic systems. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
11.
Talk
Ab initio determination of the magnetic free energy contribution of metallic systems. APS March Meeting 2010, Portland, OR, USA (2010)
12.
Talk
Towards a First-Principles Understanding of the Iron Phase Diagram. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
13.
Talk
Ab initio determination of the magnetic free energy contribution of metallic systems. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Poster (1)
14.
Poster
Fully ab initio based determination of magnetic contributions to the free energy of metals. Psi-k Conference 2010, Berlin, Germany (2010)