My research activities – based on calculations and simulations on supercomputers – include:

  • (i) Bottom-up design of refractory ceramic alloys and superlattices that retain high mechanical strength, hardness, and toughness from room to elevated (> 1000 ºC) temperatures.
  • (ii) Gaining atomistic and electronic-scale knowledge of gas/surface reactions and mass transport on bulk and 2D materials for applications in crystal growth, catalysis, and oxidation-resistant coatings
  • (iii) Determination of thermodynamic and kinetic conditions for phase transformation and phase segregation in alloys.
  • (iv) Development of theoretical methods and models for evaluation of material properties at conditions of relevance for practical uses.


I am also responsible for the Computational Physics course (4th-year students), as well as assistant/lecturer in other undergraduate courses.


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