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Research in DFT
My Ph.D. research focussed on the application of DFT to certain systems of interest. My Ph.D. thesis was titled,
"SOME STUDIES ON REACTIVITY AND DYNAMICS IN THE GROUND
AND EXCITED ELECTRONIC STATES OF MANY-ELECTRON
SYSTEMS WITHIN A DENSITY-BASED QUANTUM MECHANICAL
FRAMEWORK".
For more information look up my publications till the year 2000.
My brief post-doc work related to the study of rattling vibrational modes in Si and Ge clathrate materials using the VASP simulation program which made use of DFT. My related publication can be accessed here.
I have also worked on QFDFT, a formalism of time-dependent DFT, to obtain the ground state energies and wave-functions of select many-electron systems. More information can be found
here.
The formalism has also been used to study the electron-density-based dynamics of such systems under intense laser fields. More information can be found
here.
Presently I am working on carrying out electron structure dynamic calculations on the Android platform. You may have a look here if you are interested.
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