Research

During my PhD, I worked on rare-earth-free permanent magnets, where I employed Density functional theory, Monte Carlo simulations, and machine learning to investigate magnetic properties of L10 structured FeNi alloy - a promising permanent magnet first observed in iron meteorites. If you would like to read more on my research, you can find my PhD thesis (here).


L10 structured FeNi alloy found in iron meteorites

Projects

Using unsupervised machine learning to investigate correlation between orbital anisotropy and the local chemical environment in FeNi alloy


The t-SNE visualization of the SOAP vectors of Fe atoms representing different local chemical environments for partially ordered FeNi structures
  • (View Project on Github)

    Investigation of self-diffusion in Molybdenum using classical molecular dynamics simulations (Master Thesis)


Atomic trajectories of vacancy from it’s initial position in Molybdenum as seen from the [001] plane over 10.5 psec at 2400 K

Hydrogen Diffusion in Fe-Mn-Al alloys: A kinetic Monte Carlo study


Possible jumps for a Hydrogen atom in an FCC lattice

Molecular Dynamics Simulations of Nanoindentation in Lamellar Ti-Al alloys (Master project)


Visualization of nanoindentation simulation in lamellar TiAl alloys using Molecular Dynamics simulations