Publications

Conference Paper (14)

1. 141.
   MPG.PuRe
   Conference Paper

   Hickel, T.; Nazarov, R.; von Pezold, J.; Friák, M.; Neugebauer, J.; Ismer, L.: Identification of hydrogen related mechanisms in steels using ab initio methods. Proceedings of Steel Hydrogen Conference, Ghent, Belgium, September 28, 2011. (2011)
2. 142.
   MPG.PuRe
   Conference Paper

   Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Advancing DFT to finite temperatures: Methods and applications in steel design. PSI-k Newsletter 105, pp. 22 - 50 (2011)
3. 143.
   MPG.PuRe

   DOI
   Conference Paper

   Marquardt, O.; Schulz, S.; O’Reilly, E. P.; Freysoldt, C.; Boeck, S.; Hickel, T.; Neugebauer, J.: 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)
4. 144.
   MPG.PuRe
   Conference Paper

   Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: 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), (2008)
5. 145.
   MPG.PuRe

   DOI
   Conference Paper

   Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: 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 (379)

1. 146.
   MPG.PuRe
   Talk

   Zhu, L.-F.; Grabowski, B.; Neugebauer, J.: Efficient approach to compute melting properties fully from ab initio with application to Cu. CALPHAD XLVII Conference, Querétaro, México (2018)
2. 147.
   MPG.PuRe
   Talk

   Grabowski, B.: Knowledge driven engineering of materials: Development and application of ab initio based scale bridging methods. Seminar at HSU Hamburg, Hamburg, Germany (2018)
3. 148.
   MPG.PuRe
   Talk

   Dey, P.: Materials design based on ab initio methods: Coherent microstructure & its impact on real application. Seminar at TU Delft, Delft, The Netherlands (2018)
4. 149.
   MPG.PuRe
   Talk

   Grabowski, B.: Efficient and Accurate Computation of Melting Temperatures and Enthalpies and Entropies of Fusion from Ab Initio. TMS conference, Phoenix, AZ, USA (2018)
5. 150.
   MPG.PuRe
   Talk

   Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Ladines, A. N. C.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: Energetics of non-stoichiometric stacking faults in Fe-Nb alloys: An ab initio study. DPG-Frühjahrstagung 2018, Berlin, Germany (2018)
6. 151.
   MPG.PuRe
   Talk

   Dey, P.: Understanding Hydrogen Embrittlement based on ab initio methods. Seminar at Linköping University, Linköping, Sweden (2018)
7. 152.
   MPG.PuRe
   Talk

   Dutta, B.: Role of temperature dependent excitations and the coupling between them in functional materials: Ab-initio insights. IFM at Linköping University, Linköping, Sweden (2018)
8. 153.
   MPG.PuRe
   Talk

   Grabowski, B.: Dislocation-twin boundary interactions in nanoscale Cu bi-crystals: Simulation versus experiment. Schöntal Symposium - Dislocation based Plasticity, Schöntal, Germany (2018)
9. 154.
   MPG.PuRe
   Talk

   Glensk, A.: From Thermodynamics to phonon lifetimes: Anharmonic calculations with ab initio accuracy. CECAM workshop: Anharmonicity and thermal properties of solids, Paris, France (2018)
10. 155.
    MPG.PuRe
    Talk

    Grabowski, B.: Knowledge driven engineering of materials: Development and application of ab initio based scale bridging methods. Seminar at University Stuttgart, Stuttgart, Germany (2017)
11. 156.
    MPG.PuRe
    Talk

    Dutta, B.; Körmann, F.; Hickel, T.; Neugebauer, J.: Temperature-driven effects in functional materials: Ab initio insights. Talk at University Pierre and Marie CURIE (UPMC), Paris, France (2017)
12. 157.
    MPG.PuRe
    Talk

    Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Ladines, A. N. C.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: 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)
13. 158.
    MPG.PuRe
    Talk

    Dutta, B.; Olsen, R. J.; Mu, S.; Hickel, T.; Samolyuk, G. D.; Specht, E. D.; Bei, H.; Lindsay, L. R.; Neugebauer, J.; Stocks , M. et al.; Larson, B. C.: Lattice dynamics in high entropy alloys: understanding the role of fluctuations. EUROMAT 2017, Thessaloniki, Greece (2017)
14. 159.
    MPG.PuRe
    Talk

    Dutta, B.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of magnetic fluctuations on phonons: a Green's function-based approach. MPIE-ICAMS workshop, Ebernburg, Germany (2017)
15. 160.
    MPG.PuRe
    Talk

    Zhu, L.-F.; Grabowski, B.; Neugebauer, J.: Efficient approach to compute melting properties fully from ab initio with application to Cu. MPIE-ICAMS workshop, Ebernburg, Germany (2017)