About Me

Welcome to my homepage…

I am a quantum chemistry researcher with 10+ years of experience in developing advanced theoretical methods to solve complex challenges in molecular physics. I specialize in electronic structure and quantum dynamics, with expertise in Fortran and Python for translating theoretical concepts into practical, impactful computational tools.

Currently, I am a postdoctoral researcher at Heidelberg University in Heidelberg, Germany, where I work on developing advanced methods to model highly correlated coupled electron-nuclear dynamics without relying on potential energy surfaces. For this, we have developed an electron-nuclei dynamics scheme using the second quantization representation of the electrons. We have also developed algorithm for compact representation of second-quantized electronic Hamiltonian that are more than two orders of magnitude efficient than the traditional approach.

I pursued my PhD from CSIR-NCL, Pune, India. My dissertation focused on studying parity and time-reversal-violating interactions in diatomic molecules. As part of this work, I implemented the extended coupled cluster and Z-vector methods in the four-component relativistic framework to calculate first-order properties of atoms and molecules.

Apart from my thesis work, I have also worked on the development and implementation of equation-of-motion coupled cluster method in the relativistic framework to study the electron attachment and detachment processes of atoms and molecules.