Publications

Publications

Talk (31)

  1. 41.
    Talk
    Seol, J. B.; Ko, W.-S.; Bae, J. W.; Jo, Y. H.; Li, Z.; Choi, P.-P.; Raabe, D.; Kim, H. S.: Transition in boron boundary cohesion from effectiveness to harmfulness with respect to application temperatures: high-entropy alloys and Ni-based superalloys. 2nd International Conference on High-Entropy Materials (ICHEM 2018), Jeju, South Korea (2018)
  2. 42.
    Talk
    Neugebauer, J.: High entropy alloys beyond configurational entropy. MRS 2018 Conference, Boston, MA, USA (2018)
  3. 43.
    Talk
    Hadian, R.: Grain boundary dynamics. MMM 2018 (Multiscale Materials Modeling), Osaka, Japan (2018)
  4. 44.
    Talk
    Neugebauer, J.: Exploration of large ab initio data spaces to design structural materials with superior mechanical properties. Multiscale Materials Modeling (MMM 2018) Conference, Osaka, Japan (2018)
  5. 45.
    Talk
    Todorova, M.: From semiconductor defect chemistry to electrochemistry: Challenges and insights. AMaSiS 2018 Workshop, Weierstrass Institute for Applied Analysis and Stochastics, Berlin, Germany (2018)
  6. 46.
    Talk
    Neugebauer, J.: Employing ab initio thermodynamics to design structurally complex materials. RCTP-2018 Conference, Moscow, Russia (2018)
  7. 47.
    Talk
    Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Kontis, P.; Wu, X.; Freysoldt, C.; Neugebauer, J. et al.; Gault, B.: Segregation and Transformation at Lattice Defects as Microstructure Design Toolbox. Materials Science and Engineering Congress, Darmstadt, Germany (2018)
  8. 48.
    Talk
    Neugebauer, J.: Fundamental compositional limitations in the thin film growth of metastable alloys. 3rd Conference on Advanced Functional Materials (AFM2018), Vildmarkshotellet Kolmården, Norrköping, Sweden (2018)
  9. 49.
    Talk
    Todorova, M.: Stability and reactivity of solid/liquid interfaces from ab initio calculations. International Workshop on Computational Electrochemistry, Aalto University, Helsinki, Finland (2018)
  10. 50.
    Talk
    Todorova, M.: Insights into electrochemical problems from the perspective of semiconductor defect chemistry. International Workshop on Computational Electrochemistry, Aalto University, Helsinki, Finland (2018)
  11. 51.
    Talk
    Huber, L.: High-throughput calculations and modelling of solute-GB segregation. Thermec 2018 Conference, Paris, France (2018)
  12. 52.
    Talk
    Neugebauer, J.: Modelling thermodynamics and kinetics of general grain boundaries: Challenges and successes. Thermec 2018 Conference, Paris, France (2018)
  13. 53.
    Talk
    Neugebauer, J.: First-principles approaches for charged defects in low dimensional systems. Conference on Physics of Defects in Solids, Trieste, Italy (2018)
  14. 54.
    Talk
    Freysoldt, C.: Density-functional modelling of field evaporation. Atom probe tomography and microscopy conference 2018, Gaithersburg, MD, USA (2018)
  15. 55.
    Talk
    Malyar, N.; Grabowski, B.; Dehm, G.; Kirchlechner, C.: Strain rate sensitivity of dislocation transmission through individual copper grain boundaries. E-MRS Spring Meeting 2018, Strasbourg, France (2018)
  16. 56.
    Talk
    Neugebauer, J.: Understanding fundamental doping and stoichiometry limits in semiconductors by ab initio modelling. EDS 2018 Conference, Thessaloniki, Greece (2018)
  17. 57.
    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)
  18. 58.
    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)
  19. 59.
    Talk
    Todorova, M.: Insights into corrosion mechanisms from ab initio calculations. BASF “Corrosion Forum", Ludwigshafen, Germany (2018)
  20. 60.
    Talk
    Todorova, M.: Atomistic insights into surface stability and reactivity at solid/liquid interfaces from first principles calculations. Technical University Vienna, Vienna, Austria (2018)
 
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