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 · 319 citations

Engineering, Chemistry, First-principles Investigation +19

pyiron: An integrated development environment for computational materials science

Sudarsan Surendralal, Yury Lysogorskiy, Mira Todorova et al. · Computational Materials Science · 2019 · 137 citations · Full text

Engineering, Material Simulation, Computer Architecture +22

Temperature Stabilized Surface Reconstructions at Polar ZnO(0001)

Markus Valtiner, Mira Todorova, Guido Grundmeier et al. · Physical Review Letters · 2009 · 121 citations

Surface Phase Diagrams, Engineering, Polar Zno +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 · 120 citations · Full text

Engineering, Semiconductor Physics, Computational Chemistry +22

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 · 100 citations

Materials Science, Grain Boundaries, Engineering +7