Publications

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Conference Paper (22)

  1. 261.
    Conference Paper
    Friák, M.; Sander, B.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti-based binaries for human implants. 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)
  2. 262.
    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)
  3. 263.
    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)
  4. 264.
    Conference Paper
    Nikolov, S.; Sachs, C.; Fabritius, H.; Raabe, D.; Petrov, M.; Friak, M.; Neugebauer, J.; Lymperakis, L.; Ma, D.: Hierarchical modeling of the mechanical properties of lobster cuticle from nano‐ up to macroscale: The influence of the mineral content and the microstructure. In: Proceedings of MMM 2008 "Computational Modeling of biological and soft condensed matter systems", pp. 667 - 670. 4th International Conference on Multiscale Materials Modeling, Tallahassee, FL, USA, October 27, 2008 - October 31, 2008. Dep. of Scientific Computing, Florida State University, USA (2008)

Meeting Abstract (2)

  1. 265.
    Meeting Abstract
    Kenmoe, S.; Todorova, M.; Biedermann, P. U.; Neugebauer, J.: Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In APS March Meeting 2014, abstract #Q2.009. APS March Meeting 2014 , Denver, CO, USA, March 03, 2014 - March 07, 2014. (2014)
  2. 266.
    Meeting Abstract
    Kenmoe, S.; Todorova, M.; Biedermann, P. U.; Neugebauer, J.: Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In DPG Spring Meeting 2014, Abstract: O50.6. DPG Spring Meeting 2014 , Dresden, Germany, March 30, 2014 - April 04, 2015. (2014)

Talk (837)

  1. 267.
    Talk
    Neugebauer, J.: High entropy alloys beyond configurational entropy. MRS 2018 Conference, Boston, MA, USA (2018)
  2. 268.
    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)
  3. 269.
    Talk
    Neugebauer, J.: Employing ab initio thermodynamics to design structurally complex materials. RCTP-2018 Conference, Moscow, Russia (2018)
  4. 270.
    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)
  5. 271.
    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)
  6. 272.
    Talk
    Neugebauer, J.: Modelling thermodynamics and kinetics of general grain boundaries: Challenges and successes. Thermec 2018 Conference, Paris, France (2018)
  7. 273.
    Talk
    Neugebauer, J.: First-principles approaches for charged defects in low dimensional systems. Conference on Physics of Defects in Solids, Trieste, Italy (2018)
  8. 274.
    Talk
    Neugebauer, J.: Understanding fundamental doping and stoichiometry limits in semiconductors by ab initio modelling. EDS 2018 Conference, Thessaloniki, Greece (2018)
  9. 275.
    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)
  10. 276.
    Talk
    Neugebauer, J.: From electrons to the design of structurally complex materials. SFB ViCoM conference EPT 2018: From electrons to phase transitions, Vienna, Austria (2018)
  11. 277.
    Talk
    Neugebauer, J.: Exploration of Large Ab Initio Data Spaces to Design Structural Materials with Superior Mechanical Properties. Hume-Rothery Award Symposium, TMS 2018, Phoenix, AZ, USA (2018)
  12. 278.
    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)
  13. 279.
    Talk
    Neugebauer, J.: Understanding the fundamental mechanisms behind H embrittlement: An ab initio guided multiscale approach. Seminar E2M ("Wall Forum") at MPI for Plasma Physics, Garching, Germany (2018)
  14. 280.
    Talk
    Neugebauer, J.: A first principles approach to model electrochemical reactions in an electrolytic cell. Workshop: The Electrode Potential in Electrochemistry - A Challenge for Electronic Structure Theory Calculations, Schloß Reisensburg, Günzburg, Germany (2017)
 
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