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Journal Article (2)
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1.Journal ArticleFirst-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion. Physical Review Letters 120 (24), 246801 (2018)
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2.Journal ArticleMigration mechanisms of a faceted grain boundary. Physical Review Materials 2 (4), 043601 (2018)
Conference Paper (1)
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3.Conference PaperAb initio description of the Ti BCC to ω transition at finite temperatures. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 755 - 756 (Eds. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)
Talk (1)
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4.TalkA molecular dynamics study of the Mg(0001)/H2O interface using empirical potentials. IMPRS-SURMAT Annual Retreat 2017, Meschede, Germany (2017)
Poster (1)
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5.PosterEffect 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)