Prof. Shridhar R. Gadre is an Indian scientist working in computational quantum and theoretical chemistry. His research interests are in the fields of Atomic and Molecular Electronic Structure Calculations, Study of weak intermolecular interactions, Molecular scalar fields (Molecular Electrostatic Potential (MESP), Molecular Electron Density (MED), Software Development and Parallel Computing.
Prof. Gadre received his Ph. D. from Indian Institute of Technology Kanpur in 1977. After his postdoctoral research with Professor Robert G. Parr and Robert L. Matcha, he joined University of Pune as a lecturer and was promoted to Professorship in 1988. He has completed over 10 research projects sponsored by government agencies and industries.
Prof. Gadre has also contributed to algorithms and codes for efficiently parallelising quantum chemical ab inito calculations. He pioneered a technique called the Molecular Tailoring Approach that seeks to calculate accurate one-electron properties for large molecules by breaking down the molecules into fragments and then combining calculations on individual fragments. This approach is now extended to perform geometry optimisation as well as Hessian (vibrational frequency) calculation of large molecules in an efficient manner even on a common personal computer.
Professor Gadre founded the Interdisciplinary school of scientific computing at the University of Pune in 1995 and has since served as its Director. He has authored and co-authored over 220 articles in high-impact journals. Since 2000 Prof. Gadre has also been closely associated with the Indian and International Chemistry Olympiads.
