Mira Todorova

Thermodynamic stability and structure of copper oxide surfaces: A first-principles investigation

Aloysius Soon, Mira Todorova, B. Delley et al. · Physical Review B · 2007 · 322 citations

Natural Sciences, Chemistry, Materials Science +17

pyiron: An integrated development environment for computational materials science

Sudarsan Surendralal, Yury Lysogorskiy, Mira Todorova et al. · Computational Materials Science · 2019 · 146 citations · Full text

Natural Sciences, Computer Science, Materials Science +17

First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion

Sudarsan Surendralal, Mira Todorova, Michael W. Finnis et al. · Physical Review Letters · 2018 · 129 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Temperature Stabilized Surface Reconstructions at Polar ZnO(0001)

Markus Valtiner, Mira Todorova, Guido Grundmeier et al. · Physical Review Letters · 2009 · 122 citations

Natural Sciences, Materials Science, Physics +17

A first principles investigation of zinc induced embrittlement at grain boundaries in bcc iron

Klaus‐Dieter Bauer, Mira Todorova, Kurt Hingerl et al. · Acta Materialia · 2015 · 106 citations

Natural Sciences, Materials Engineering, Materials Science +12