Publications

Publications

Talk (73)

  1. 81.
    Talk
    Todorova, M.; Ismer, L.; Neugebauer, J.: Role of anharmonic contributions for the elasticity of ice. March meeting of the American Physical Society (APS), Pittsburg, USA (2009)
  2. 82.
    Talk
    Todorova, M.: Oxidation von Übergangsmetalloberflächen. Technische und Makromolekulare Chemie, Universität Paderborn, Paderborn, Germany (2008)
  3. 83.
    Talk
    Todorova, M.: Oxidation of transition metal surfaces. GO-Seminar, MPI für Eisenforschung GmbH, Düsseldorf, Germany (2008)
  4. 84.
    Talk
    Todorova, M.; Neugebauer, J.: Towards an ab initio description of corrosion. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
  5. 85.
    Talk
    Todorova, M.; Neugebauer, J.: A new approach to obtain electrochemical E/pH diagrams derived from the viewpoint of semiconductor defects. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
  6. 86.
    Talk
    Todorova, M.; Neugebauer, J.: Thermodynamic aspects of corrosion: The E/pH diagram of Zinc. PAW workshop 2007, Goslar, Germany (2007)
  7. 87.
    Talk
    Todorova, M.; Borg, M.; Stampfl, C.; Scheffler, M.: Order-disorder phase transitions: a DFT- (Wang-Landau) MC study. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)

Poster (15)

  1. 88.
    Poster
    Surendralal, S.; Todorova, M.; Finnis, M. W.; Neugebauer, J.: Effect of external electric fields on the Mg(0001)/H2O interface studied by empirical potentials using automated tools. The electrode potential in electrochemistry workshop - A challenge for electronic structure theory calculations, Castle Reisensburg (Ulm), Germany (2017)
  2. 89.
    Poster
    Surendralal, S.; Todorova, M.; Neugebauer, J.: Effect of external electric fields on the Mg(0001)/H2O. High electric Fields in Electrochemistry and in Atom Probe Tomography - Workshop, Ringberg Castle, Tegernsee, Germany (2017)
  3. 90.
    Poster
    Surendralal, S.; Todorova, M.; Neugebauer, J.: The Mg(0001)/H2O interface studied by empirical potentials and density functional. DPG-Frühjahrstagung 2017, Dresden, Germany (2017)
  4. 91.
    Poster
    Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Zn-ions in water: An ab initio molecular dynamics study. ICMR Workshop - Workshop on Charged Systems and Solid/Liquid Interfaces, University of California , Santa Barbara, USA (2015)
  5. 92.
    Poster
    Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Zn-ions in water: An ab initio molecular dynamics study. ICMR Workshop - Advances in oxide materials: Preparation, properties, performance, University of California, Santa Barbara, CA, USA (2014)
  6. 93.
    Poster
    Todorova, M.; Neugebauer, J.: Electrochemical Pourbaix phase diagrams from ab initio calculations. XLII CALPHAD Conference, San Sebastian, Spain (2013)
  7. 94.
    Poster
    Cheng, S.-T.; Todorova, M.; Neugebauer, J.: Interactions of oxidizing species with the Mg(0001) surface: The role of electrostatic contributions. Connecting electrochemical and water simulations: Status and future challenges, Ringberg, Germany (2013)
  8. 95.
    Poster
    Todorova, M.; Neugebauer, J.: Extending the concept of semiconductor defect chemistry to electrochemistry. Connecting electrochemical and water simulations: Status and future challenges, Ringberg, Germany (2013)
  9. 96.
    Poster
    Todorova, M.; Neugebauer, J.: Extending the concept of semiconductor defect chemistry to electrochemistry. Workshop "Connecting electrochemical and water simulations: Status and future challenges", San Sebastian, Spain (2013)
  10. 97.
    Poster
    Todorova, M.: On the accuracy of ion hydration enegies - An ab-initio study. Gordon Research Conference ''Corrosion - Aqueous'', Colby-Sawyer College, New London, NH, USA (2012)
  11. 98.
    Poster
    Bauer, K. D.; Todorova, M.; Hingerl, K.; Neugebauer, J.: Ab-initio Study on Liquid Metal Embrittlement in the Fe/Zn System. International Workshop on Ab initio Description of Iron and Steel (ADIS2012), Ringberg, Germany (2012)
  12. 99.
    Poster
    Izanlou, A.; Todorova, M.; Friák, M.; Palm, M.; Neugebauer, J.: Theoretical study of the environmental effect of H-containing gases on Fe–Al surfaces. International Meeting on Iron Aluminide Alloys, Lanzarote, Canary Island, Spain (2011)
  13. 100.
    Poster
    Todorova, M.; Valtiner, M.; Neugebauer, J.: Stabilisation of polar ZnO(0001) surfaces in dry and humid environment. FIESTAE - Frontiers in Interface Science: Theory and Experiment, Berlin, Germany (2011)
 
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