Sourav Pal

Sourav Pal (1955-) is an Indian theoretical chemist, former professor of chemistry at IIT Bombay, and former director of the Indian Institute of Science Education and Research, Kolkata. He was a director of the CSIR-National Chemical Laboratory in Pune and an adjunct professor at the Indian Institute of Science Education and Research, Pune.

He has made contributions in the field of coupled cluster-based [https://aip.scitation.org/doi/abs/10.1063/1.4729464 methods] of quantum chemistry. [https://scholar.google.com/citations?user=TmdlTHYAAAAJ&hl=en His scientific accomplishments] include the rigorous development of expectation value as well as extended coupled-cluster functions and development of the response properties to multi-reference coupled cluster [https://aip.scitation.org/doi/10.1063/1.5039496 (MRCC)] theory. He has developed a non-iterative approximation to coupled-perturbed Kohn-Sham density functional theoretic equations to calculate non-linear properties, which is implemented in the developers' version of the deMon code.

He has also made contributions in the area of reactivity descriptors, highlighting the conditions of validity of the principle of maximum hardness, deriving the qualitative relation of hardness with polarizability, establishing Hirshfeld population in the calculation of condensed Fukui functions, and developing the local hard-soft-acid-base principle for molecular recognition. Further, among his scientific contributions are the study of anti-aromaticity in metal clusters using ab initio molecular dynamics (AIMD), the study of structure, electron localization functions, and magnetic ring currents. He has addressed the theoretical incorporation of Sn into Beta Zeolites using AIMD and is actively engaged in the computational study of the hydrogen storage properties of materials. Provided by Wikipedia