Veröffentlichungen

Veröffentlichungen

Vortrag (57)

  1. 81.
    Vortrag
    Neugebauer, J.: Hydrogen embrittlement research at the MPIE (Max-Planck-Institut für Eisenforschung). SNEAC Workshop Environmental Assisted Cracking, Trondheim, Norway (2016)
  2. 82.
    Vortrag
    Gault, B.; Herbig, M.; Liebscher, C.; Kuzmina, M.; Dehm, G.; Mayer , J.; Ponge, D.; Scheu, C.; Stoffers, A.; Sandlöbes, S. et al.; Neugebauer, J.; Raabe, D.: Defect Segregation studied by Correlative Atom Probe Tomography and Electron Microscopy. Japan-Germany Joint Symposium on Advanced Characterization of Nanostructured Materials for Energy and Environment, Conference Center Mutterhaus, Düsseldorf, Germany (2016)
  3. 83.
    Vortrag
    Dutta, B.; Hickel, T.; Neugebauer, J.: Phase diagrams in magnetic shape memory alloys: Insights obtained from ab initio thermodynamics. The forty-fifth International Conference on Computer Coupling of Phase Diagrams and Thermochemistry, Awaji Island, Hyogo, Japan (2016)
  4. 84.
    Vortrag
    Neugebauer, J.: Ab initio determination of lattice stabilities and comparison to CALPHAD. Plenary talk, CALPHAD XLV Conference, Awaji Island, Japan (2016)
  5. 85.
    Vortrag
    Grabowski, B.: Entwicklung von quantenmechanischen Simulationsmethoden für das Design moderner metallischer Werkstoffe. Seminar at University Paderborn, Paderborn, Germany (2016)
  6. 86.
    Vortrag
    Todorova, M.: Elementary reaction steps in electrocatalysis: Theory meets experiment. Workshop 2016 der DFG-Forschergruppe 1376 , Reisensburg, Günzburg, Germany (2016)
  7. 87.
    Vortrag
    Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Herbig, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: An ab-initio prediction of the off-stoichiometry of Fe–Mn–Al–C κ carbides. CALPHAD XLV, Awaji Island, Hyogo, Japan (2016)
  8. 88.
    Vortrag
    Grabowski, B.: Entwicklung von quantenmechanischen Simulationsmethoden für das Design moderner metallischer Werkstoffe. Seminar at Universität Paderborn, Paderborn, Germany (2016)
  9. 89.
    Vortrag
    Todorova, M.: Oxide stability and defect chemistry in an electrochemical environment: an ab initio perspective. Workshop 2016 der DFG-Forschergruppe 1376 “Elementary reaction steps in electrocatalysis: Theory meets experiment“, Reisensburg, Günzburg, Germany (2016)
  10. 90.
    Vortrag
    Neugebauer, J.: Database concepts and ICME links for atomistic simulations. Plenary talk, 2nd International Workshop on Software Solutions for Integrated Computational Materials Engineering ICME 2016, Barcelona, Spain (2016)
  11. 91.
    Vortrag
    Surendralal, S.; Todorova, M.; Neugebauer, J.: Automated calculations for charged point defects in MgO and α-Fe2O3. DPG-Frühjahrstagung 2016, Regensburg, Germany (2016)
  12. 92.
    Vortrag
    Grabowski, B.: Modern materials design from first-principles: Recent progress and future prospects. DPG Jahrestagung Regensburg, Regensburg, Germany (2016)
  13. 93.
    Vortrag
    Dutta, B.; Debashish, D.; Ghosh, S.; Sanyal, B.; Hickel, T.; Neugebauer, J.: Intricacies of phonon line shapes in random alloys: A first-principles study. DPG Spring Meeting of the Condensed Matter Section, Regensburg, Germany (2016)
  14. 94.
    Vortrag
    Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Herbig, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: Origin of the off-stoichiometry of Fe–Mn–Al–C κ carbides: An ab-initio explanation of atom probe tomography data. DPG 2016, Regensburg, Germany (2016)
  15. 95.
    Vortrag
    Dutta, B.; Begum, V.; Hickel, T.; Neugebauer, J.: Impact of point defects on the phase stability in Heusler alloys: A first-principles study. DPG Spring Meeting of the Condensed Matter Section, Regensburg, Germany (2016)
  16. 96.
    Vortrag
    Vatti, A. K.; Todorova, M.; Neugebauer, J.: Ab initio Determination of Formation Energies and Charge Transfer Levels of Charged Ions in Water. APS 2016, Baltimore, MD, USA (2016)
  17. 97.
    Vortrag
    Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Ions in Water using ab-initio Molecular Dynamics. DPG Frühjahrstagung 2016, Regensburg, Germany (2016)
  18. 98.
    Vortrag
    Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: Heat capacity of the quaternary Q phase in Al–Cu–Mg–Si: A combined ab-initio, phonon and compound energy formalism approach. DPG-Frühjahrstagung 2016, Regensburg, Germany (2016)
  19. 99.
    Vortrag
    Neugebauer, J.: The digital transformation in Materials Science from a Modellers Perspective. VDI Workshop „Digitale Transformation in der Werkstofftechnik”, Düsseldorf, Germany (2016)
  20. 100.
    Vortrag
    Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Lattice excitations in magnetic alloys: Recent advances in ab initio modeling of coupled spin and atomic fluctuations. TMS Annual Meeting 2016, Nashville, TN, USA (2016)
 
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