Dr Prashant Uday Manohar
vidwan id: 228123
Associate Professor, Department of Chemistry
Birla Institute of Technology and Science
Expertise
- Multidisciplinary Chemistry
Publications
Publications
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Scopus
h-index
9
CrossRef
Citations
3766
h-index
10
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Chemical Research Society of India
Bio
My major research interest lies in developing Computational Chemistry Software. In particular, I work on electronic structure methods for highly correlated systems. I have been associated with developers' team of Q-CHEM (a commercial quantum chemistry package) since 2008. I love to teach Quantum Chemistry, Physical Chemistry, General Chemistry, etc. I also like to guide MSc students for Chemistry Software Development. "Rasayana" (a RHF program) and "Virtual Laboratory" (a set of virtualized Chem
Personal Details
- Male
- Associate Professor , Birla Institute of Technology and Science
- Birla Institute of Technology and Science, Pilani, Vidya Vihar
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Co-Authors (8)
Indian Institute of Technology Bombay
Birla Institute of Technology and Science
Indian Institute of Science Education and Research(IISER), Mohali
CSIR National Chemical Laboratory
N/A
Birla Institute of Technology and Science
M S Ramaiah Institute of Technology, Bangalore
Birla Institute of Technology and Science
Scholarly Work
An extensive computational development of multi-reference coupled-cluster methods for electronic structure investigations of big molecules
Funding Agency: Department of Science and Technology, Govt. of India
PI
22.4 lakhs
2012 - 2015
Computational development and implementation of some cost-effective variants of coupled-cluster based methods for energies and properties of molecules in near-degenerate electronic states
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Scholarly Publications
New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations
Open Access
10.1002/jcc.23377
107
110