About
Dr. Daria Smirnova is a Researcher at the Max Planck Institute for Sustainable Materials, specializing in computational materials science with a focus on atomic-scale simulations. Her work bridges fundamental material defects, thermal effects, and hydrogen behavior in metallic systems.
- Current Role: Researcher (MPI-Susmat, 2021–present)
- Prior Role: Postdoctoral Researcher (ICAMS, Ruhr-Universität Bochum, 2018–2020)
Research Focus:
Dr. Smirnova’s research explores structural defects, phase transitions, self-diffusion in metals/alloys, and hydrogen interactions in metallic systems. She has extensive expertise in interatomic potential development, with several potentials included in the NIST Interatomic Potentials Repository.
Key Projects:
• SFB/Transregio 103 (2021–2023): Atomistic simulations of dislocation climb in FCC metals
• DFG-funded personal project (2025–present): Analyzing composition and stress effects on hydrogen behavior in Fe-Cr/Fe-Ni alloys
Contact:
Max Planck Institute for Sustainable Materials
Max-Planck-Straße 1, 40237 Düsseldorf, Germany
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