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Sourav Pal
Born
(1955-05-12) 12 May 1955 (age 69)[1]
Alma mater
University of Calcutta (Ph.D.) IIT Kanpur (MSc Integrated)
Scientific career
Institutions
Indian Institute of Science Education and Research, Kolkata (2017–2022),Indian Institute of Technology Bombay (2015-2017), CSIR- National Chemical Laboratory, Director(2010-2015),Scientist(1982-2015)
Sourav Pal (born 12 May 1955) is an Indian theoretical chemist, former professor of chemistry[2] at IIT Bombay, and former director of the Indian Institute of Science Education and Research, Kolkata.[3] 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 methods of quantum chemistry.[4] 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 (MRCC) theory.[5][6] 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.[7]
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.[8] 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.[9] 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.[10]
^"FacultyUserView - IIT". www.chem.iitb.ac.in. Retrieved 20 October 2019.
^"IISER Kolkata Director".
^Ghosh, Aryya; Vaval, Nayana; Pal, Sourav (2012). "Equation-of-motion coupled-cluster method for the study of shape resonance". The Journal of Chemical Physics. 136 (23). Bibcode:2012JChPh.136w4110G. doi:10.1063/1.4729464. PMID 22779584. Retrieved 5 June 2024.
^"Sourav Pal". scholar.google.com. Retrieved 5 June 2024.
^Evangelista, Francesco A. (2018). "Perspective: Multireference coupled cluster theories of dynamical electron correlation". The Journal of Chemical Physics. 149 (3): 030901. Bibcode:2018JChPh.149c0901E. doi:10.1063/1.5039496. PMID 30037266. Retrieved 5 June 2024.
^"deMon2k Program". www.demon-software.com. Retrieved 21 January 2024.
^Chandrakumar, K. R. S.; Pal, Sourav (April 2002). "The Concept of Density Functional Theory Based Descriptors and its Relation with the Reactivity of Molecular Systems: A Semi-Quantitative Study". International Journal of Molecular Sciences. 3 (4): 324–337. doi:10.3390/i3040324. ISSN 1422-0067.
^"A study of electronic and bonding properties". pubs.aip.org. Retrieved 21 January 2024.
^Dixit, Mudit; Adit Maark, Tuhina; Ghatak, Kamalika; Ahuja, Rajiv; Pal, Sourav (23 August 2012). "Scandium-Decorated MOF-5 as Potential Candidates for Room-Temperature Hydrogen Storage: A Solution for the Clustering Problem in MOFs". The Journal of Physical Chemistry C. 116 (33): 17336–17342. doi:10.1021/jp302852h. ISSN 1932-7447.
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