Tarakeshwar has 25 years of teaching and research experience in several areas of contemporary interest in computational chemistry, material design, drug discovery, nanotechnology, catalysis, and energy related research (https://scholar.google.com/citations?user=Y4ROcEMAAAAJ).
He is one of the pioneers in the detailed theoretical characterization of weak van der Waals interactions and their manifestations in nanomaterial design and spectroscopic characterization of large biomolecular complexes. In the last decade, his research has focused on computational investigations of interfaces and their role in modulating charge-transfer in surface-enhanced Raman scattering, dye-sensitized solar cells, photocatalysis, and biophotovoltaics. Very recently, he has started exploring the chemical and astrophysical relevance of metal-stabilized carbon chains.
In the pharma industry, his research was focused on developing novel therapeutic agents against the macrophage based infectious diseases, viz., tuberculosis, leprosy, and leishmaniasis.