Research

In the light of recent advances in many emerging fields such as testing fundamental laws of physics, high-precision optical frequency standards, state insensitive trapping and astrophysics; it is crucial to have the meticulous understanding of atomic properties of the considered system. The aim of this work is to investigate atomic properties such as line strengths, transition probabilities, oscillator strengths, atomic lifetimes which are also known as radiative properties and static as well as dynamic polarizabilities of a number of elements.

Polarizability accounts for the redistribution of charge inside the ionic or atomic system on exposure to the external electric field of applied laser. Aim of the work is to investigate dipole and other higher order contributions of a number of atoms and ions. This work holds applications in state-insensitive trapping techniques which are crucial for rapid development of high-precision experiments.

This work is motivated by the recent advances in optical cooling and trapping of atoms which apprehends the phenomena taking place at quantum levels. Successful manoeuvring of atoms in optical dipole traps promotes development of quantum computational scheme, in which states of trapped neutral atoms are assumed as basic building blocks known as qubits.

The dispersion interactions are fundamental for studying the structure, stability and various properties of atomic and molecular systems. The study of dispersion forces among two atoms or between an atom with a solid surface has gained impetus in terms of developing novel theoretical and computational methods to provide new insights in a number of phenomena. Assessing these forces accurately can result in new pathways towards engineering, technology and research.

In this work we indent to propose an optical frequency standard with high short-term stability and accuracy using a passive or active clock principle. The study will provide extremely important calculations for atomic clocks which will help in defining ‘SI unit of time’. The accurate definition of time and frequency is fundamental in many fields of science, technology and environmental studies.

In this work, investigation of the Rydberg-Rydberg interactions is being conducted for realisation of two-qubit Rydberg gate scheme for quantum computation. The study of strongly interacting ensemble of Rydberg atoms is important for observing dipole blockade where the excitation of more then one atom from a localised site to a Rydberg state is blocked due to the energy shift caused by the strongly interacting Rydberg gas. Such a blockade scheme has been proposed for implementation of quantum gates which is a fundamental component for quantum computation.

The aim of this work is to design and theoretically study noble & transition metal atom doped based MXenes using Density Functional Theory (DFT). An important component of the work is the identification of highly efficient noble & transition metal atom doped MXenes based electrocatalysts from the above designed materials for hydrogen evolution reaction. and then detection of highly selective and sensitive hydrogen sensors from different noble & transition metal atom doped MXenes with DFT.