Feedback

Dr. Prashant Uday Manohar

Associate Professor, Department of Chemistry, BITS Pilani, Pilani Campus

Department of Chemistry, Birla Institute of Technology & Science, Pilani- 333031, Rajasthan. India.

About the Faculty

Dr. Prashant Uday Manohar is an Associate Professor in the Department of Chemistry at BITS Pilani, Pilani Campus, where he has been on faculty since August 2009. Prior to this, he was a Postdoctoral Research Associate at the University of Southern California (USA) in the research group of Prof. Anna I. Krylov, focusing on advanced electronic structure theory. Dr. Manohar completed his doctoral research at CSIR-National Chemical Laboratory (University of Pune) under the supervision of Dr. Sourav Pal, earning his Ph.D. in 2007.
Dr. Manohar is a theoretical and computational chemist with expertise in many-body electronic structure theory and software implementation. His research centers on the development, implementation, and application of high-accuracy many-body methods such as equation-of-motion coupled-cluster (EOM-CC) and multi-reference coupled-cluster (MRCC) methods for excited, ionized, and electron-attached electronic states. He has been an active and long-standing developer of the Q-CHEM electronic structure software, contributing robust, scalable, and production-quality implementations of advanced quantum chemical methods since 2008.
His work integrates rigorous theoretical formalism with efficient numerical algorithms to enable high-accuracy computation of electronic structure, spectroscopic parameters, thermochemical parameters and response properties, addressing challenges in near-degenerate and strongly correlated systems. Representative contributions include computational implementation constrained variational linear response to Fock-space (FS) MRCC method that enables state-specific computation of analytical dipole polarizabilities (static) in addition to computation of analytical dipole moments of doublet radicals, in addition to the contributions from his group in coding the modules and libraries for CCSDT and EOM-CCSDT functionalities within Q-CHEM.
Dr. Manohar is a dedicated educator with extensive experience teaching undergraduate and graduate courses across multiple areas of chemistry. His teaching spans topics such as quantum chemistry, molecular spectroscopy, numerical methods, thermodynamics, statistical thermodynamics, and fundamental aspects of physical and inorganic chemistry.
 
Scopus Author ID: 8961747500