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201.
Conference Paper
13, pp. 1099 - 1104 (2018)
Atomistic modelling of light-element co-segregation at structural defects in iron. 22nd European Conference on Fracture, ECF 2018, Belgrade, Serbia, August 25, 2018 - September 26, 2018. Procedia Structural Integrity 202.
Conference Paper
Heilmaier, M.; Krüger, M.; Mayer, S.; Palm, M.; Stein, F.). Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany, October 02, 2017 - October 06, 2017. Proc. Intermetallics 2017, Jena, Germany (2017)
Impact of Magnetism on the Stability of Topologically Close-packed (TCP) Phases in Fe–Nb Alloys. In: Proc. Intermetallics 2017, pp. 89 - 90 (Eds. 203.
Conference Paper
Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)
Stabilization of bcc iron by magnon-phonon interactions. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 709 - 710 (Eds. 204.
Conference Paper
Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)
Ab initio description of the Ti BCC to ω transition at finite temperatures. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 755 - 756 (Eds. 205.
Conference Paper
Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. PTM 2015, Whistler, British Columbia (2015)
Ab initio description of finite temperature phase stabilities and transformations. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 751 - 752 (Eds. 206.
Conference Paper
592-593, pp. 335 - 341. 7th International Conference on Materials Structure and Micromechanics of Fracture (MSMF 7), Brno, Czech Republic, July 01, 2013 - July 03, 2013. (2014)
Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. In: Key Engineering Materials, Vol. 207.
Conference Paper
Effect of Antimony on Primary Graphite Growth in Cast Iron-From Ab-Initio Calculations to Experimental Observations. In: TMS2013 Supplemental Proceedings. 2013 TMS Annual Meeting & Exhibition (Frontiers in Solidification Science Symposium), Henry B. Gonzalez Convention Center, San Antonio, TX, USA, March 03, 2013 - March 07, 2013. (2013)
208.
Conference Paper
Effect of antimony on primary graphite growth in cast iron - From Ab-initio calculations to experimental observations. In: TMS Annual Meeting, pp. 515 - 521. 142nd Annual Meeting and Exhibition: Linking Science and Technology for Global Solutions, TMS 2013, San Antonio, TX, USA, March 03, 2013 - March 07, 2013. (2013)
209.
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1444. 2012 MRS Spring Meeting, San Francisco, CA, USA, April 09, 2012 - April 13, 2012. (2012)
Ab Initio Study of Advanced Metallic Nuclear Fuels for Fast Breeder Reactors. In: Materials Research Society Proceedings, Vol. 210.
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Identification of hydrogen related mechanisms in steels using ab initio methods. Proceedings of Steel Hydrogen Conference, Ghent, Belgium, September 28, 2011. (2011)
211.
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105, pp. 22 - 50 (2011)
Advancing DFT to finite temperatures: Methods and applications in steel design. PSI-k Newsletter 212.
Conference Paper
A flexible, plane-wave-based formulation of continuum elasticity and multiband k.p models. 11th Intern. Conference on Numerical Simulation of Optoelectronic Devices, Rome, Italy, September 05, 2011 - September 08, 2011., (2011)
213.
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Determination of symmetry reduced structures using a soft phonon analysis for magnetic shape memory alloys. Second Workshop on Theory meets Industry, Erwin-Schrödinger-Institute (ESI), Vienna, Austria, June 12, 2007 - June 14, 2007. Journal of Physics-Condensed Matter (6), 064219, (2008)
214.
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Determination of symmetry reduced structures by a soft-phonon analysis in Ni2MnGa. MRS Fall Meeting 2007, Boston, MA, USA, November 26, 2007 - November 30, 2007. Magnetic Shape Memory Alloys, (2008)
Talk (427)
215.
Talk
NFDI-MatWerk - an overview and discussion of the next steps. Webinar MaterialsWeek2021, online (2021)
216.
Talk
High-throughput optimization of finite temperature phase stabilities: Concepts and application. ICAMS Advanced Discussions, virtual, Bochum, Germany (2021)
217.
Talk
Defect phase diagrams as novel tool to understand and design tailored defect structures in advanced steels. Thermec2021, Virtual Meeting, Vienna, Austria (2021)
218.
Talk
High-throughput optimization of finite temperature phase stabilities: Concepts and application. Thermec'2021, Virtual Conference, Graz, Austria (2021)
219.
Talk
Application of Density Functional Theory in the Context of Phase Diagram Modelling. MSIT Winter School on Materials Chemistry, Virtual Event (2021)
220.
Talk
pyiron – an integrated development environment for material science. CECAM Workshop, virtual, Lausanne, Switzerland (2021)