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Mira Todorova

Group Leader

Max Planck Institute for Sustainable Materials

Germany

Research Interests

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Articles (11)

Year:

2026

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2026

Year:

2026

Year:

2025

Year:

2025

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2024

Year:

2024

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2024

Year:

2024

Year:

2023

Year:

2023

Collaborators (6)

Chris G. Van de Walle

UNITED STATES

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Stefan Wippermann

Professor

Philipps-Universität Marburg

GERMANY

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Matous Mrovec

Research group leader

Ruhr-Universität Bochum

GERMANY

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Jing Yang

Assistant Professor

Imperial College London

UNITED KINGDOM

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Baptiste Gault

Prof. of Atomic-Scale Characterisation

Imperial College London

UNITED KINGDOM

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Su-Hyun Yoo

Senior researcher

Korea Research Institute of Chemical Technology

SOUTH KOREA

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Mira Todorova

Research Interests

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Articles (11)

Macro-Dipole-Constrained Learning of Atomic Charges for Accurate Electrostatic Potentials at Electrochemical Interfaces

User-Defined Electrostatic Potentials in DFT Supercell Calculations: Implementation and Application to Electrified Interfaces

Development and Applications of a Magnetism‐Aware General‐Purpose Atomic Cluster Expansion Potential for the Fe‐O‐H Ternary System

Statistical phase evaluation approach for defect phase diagrams

Development of an atomic cluster expansion potential for iron and its oxides

Quasi‐“In Situ” Analysis of the Reactive Liquid‐Solid Interface during Magnesium Corrosion Using Cryo‐Atom Probe Tomography

Revealing the Reaction Pathway of Anodic Hydrogen Evolution at Magnesium Surfaces in Aqueous Electrolytes

Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models

Laterally Resolved Free Energy Profiles and Vibrational Spectra of Chemisorbed H Atoms on Pt(111)

Microscopic Origin of Polarization Charges at GaN / (Al,Ga)N Interfaces

Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys

Collaborators (6)

Chris G. Van de Walle

Stefan Wippermann

Matous Mrovec

Jing Yang

Baptiste Gault

Su-Hyun Yoo

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