We are a computational materials science group exploring low-dimensional materials, namely, quasi 1D or 2D self-assemblies of p block element, starting with the most abundant and the lightest ones to the more exotic ones as we go down the periodic table, in search of new paradigms of tunable electronic, magnetic, topological, catalytic, light harvesting and quantum transport properties and promises from the perpective of basis science as well as applications.

In recent year much of our focus is also on evolving computationally inexpensive strategies to estimate accurate energetics of valence electrons in the gound as well as excited states.

We primarily calculate electronic structure of the ground and excited states of materials.

Density functional theory(DFT) with mean-field approximation of many-electron interactions, is our main work horse. It works very well to derive qualitative understanding of the ground states of systems of our interest.

We use the GW approximation of the many-body perturbation theory to account for correlations beyond mean-field, leading to quantitative accuracy.

MBPT based calculations however are computationally prohibitively expensive, and almost impossible as is for the experimentally realizable nano-strucures we wish to explore for realistic proposals.

This pushed us to look for inexpensive means to perform workably accurate computation of the electronic structure of the ground and excited states in "large" systems.

We are on it for last few years with modest success approaching the problem from the tight-binding route in the basis of the optimally diredted hybrid Wannier orbitals we have proposed in the process.

Alongside we do keep looking for new materials particularly with switchable functionalities for applications towards a cleaner greener planet which is central to all our efforts.

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