Publications

Conference Paper (14)

1. 141.
   MPG.PuRe

   DOI
   Conference Paper

   Landa, A.; Söderlind, P.; Grabowski, B.; Patrice, E. A.; Turchi, A.; Ruban, A. V.; Vitos, L.: Ab Initio Study of Advanced Metallic Nuclear Fuels for Fast Breeder Reactors. In: Materials Research Society Proceedings, Vol. 1444. 2012 MRS Spring Meeting, San Francisco, CA, USA, April 09, 2012 - April 13, 2012. (2012)
2. 142.
   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)
3. 143.
   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)
4. 144.
   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)
5. 145.
   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)
6. 146.
   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 (384)

1. 147.
   MPG.PuRe
   Talk

   Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Kumar, K. S.; Hammerschmidt, T.; Hickel, T.; Neugebauer, J.: Atomistic investigation of stacking faults in non-stoichiometric Fe–Nb Alloys. EUROMAT 2019, Stockholm, Sweden (2019)
2. 148.
   MPG.PuRe
   Talk

   Rao, Z.; Li, Z.; Körmann, F.; Dutta, B.; Ponge, D.; Schäfer, L.; Skokov, K.; Gutfleisch, O.; Raabe, D.: Abnormal magnetic behavior of FeNiCoMnCu high entropy alloys. DPG Regensburg 2019, Regensburg, Germany (2019)
3. 149.
   MPG.PuRe
   Talk

   Dutta, B.; Rao, Z.; Schäfer, L.; Li, Z.; Gutfleisch, O.; Körmann, F.; Raabe, D.: Tuning magnetic properties of high entropy alloys: A combined theoretical and experimental study. DPG Regensburg 2019, Regensburg, Germany (2019)
4. 150.
   MPG.PuRe
   Talk

   Zendegani, A.; Körmann, F.; Neugebauer, J.; Hickel, T.: Energetics of non-stoichiometric stacking faults in Fe–Nb alloys: An ab initio study. TMS 2019, San Antonio, TX, USA (2019)
5. 151.
   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)
6. 152.
   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)
7. 153.
   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)
8. 154.
   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)
9. 155.
   MPG.PuRe
   Talk

   Körmann, F.; Ikeda, Y.; Grabowski, B.; Sluiter, M. H. F.; Dutta, B.; Carreras, A.; Seko, A.; Neugebauer, J.; Tanaka, I.: Phonon broadening in high entropy alloys. TMS 2018, Phoenix, AZ, USA (2018)
10. 156.
    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)
11. 157.
    MPG.PuRe
    Talk

    Dey, P.: Understanding Hydrogen Embrittlement based on ab initio methods. Seminar at Linköping University, Linköping, Sweden (2018)
12. 158.
    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)
13. 159.
    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)
14. 160.
    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)