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Properties from first principles methods:
Thermoelectrics-energy conversion
Vibrational properties
Surfaces of oxides and their stabilities and oxide interfaces
Dielectric properties
catalytic properties
defects for photonics
Materials of interest:
Thermoelectric materials
Complex transition-metal oxides like delafossite and pyrochlores
Solar-cell materials
Strongly correlated materials
First principles approach:
Density functional theory for ground state properties.
Molecular dynamics.
Code development:
I am also keen to take part and learn implementing new methods within the DFT regime, DFT+U and beyond.
O(N) methods in electronic structure calculations.
My research interests are no limited to above, I am always curious and ready to take research in technological important class of materials.
Other Interests/hobbies :
Playing Cricket, Football, Swimming, Hills climbing and Karate (only for self defense).
Also, I like to spend time with myself whenever seems possible.
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