Publications
Journal Article (7)
1.
Journal Article
Impact of Co and Fe doping on the martensitic transformation and the magnetic properties in Ni–Mn-based Heusler alloys. Physica Status Solidi B, 1700455 , pp. 1 - 7 (2017)
2.
Journal Article
139 (41), pp. 14360 - 14363 (2017)
Operando Phonon Studies of the Protonation Mechanism in Highly Active Hydrogen Evolution Reaction Pentlandite Catalysts. Journal of the American Chemical Society 3.
Journal Article
136, pp. 262 - 270 (2017)
Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced plasticity. Acta Materialia 4.
Journal Article
7, 2209 (2017)
Computationally-driven engineering of sublattice ordering in a hexagonal AlHfScTiZr high entropy alloy. Scientific Reports 5.
Journal Article
95 (16), 165126 (2017)
Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures. Physical Review B 6.
Journal Article
19 (4), 1600688 (2017)
Atomistic Modeling-Based Design of Novel Materials. Advanced Engineering Materials 7.
Journal Article
3, 36 (2017)
Phonon broadening in High Entropy Alloys. npj Computational Materials Conference Paper (1)
8.
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. Talk (4)
9.
Talk
Temperature-driven effects in functional materials: Ab initio insights. Talk at University Pierre and Marie CURIE (UPMC), Paris, France (2017)
10.
Talk
Impact of Magnetism on the Stability of Topologically Close-packed (TCP) Phases in Fe–Nb Alloys. Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany (2017)
11.
Talk
Impact of magnetic fluctuations on phonons: a Green's function-based approach. MPIE-ICAMS workshop, Ebernburg, Germany (2017)
12.
Talk
Parameter-free Finite-temperature Computations of Stacking Fault Energies for Magnetic Materials. TMS Annual Meeting 2017, San Diego, CA, USA (2017)
Poster (1)
13.
Poster
Impact of magnetism on the stability of Laves phases in Fe–Nb alloys. DPG-Frühjahrstagung 2017, Dresden, Germany (2017)