Objective: Self Motivated and hardworking individual seeking a fulltime position in the field of scientific research.
Date of Birth : March 28, 1979 (Nagpur, India)
Education:
Ph.D.(Chemistry)
University of Pune, Pune, India July 2007
Place of work: National Chemical Laboratory, Pune, India (July 2001-July-2007)
Thesis:
"Properties of molecules in ground and low-lying excited states using some stationary coupled-cluster methods"
Supervisor: Dr. Sourav Pal
M.Sc.(Physical Chemistry)
University of Pune, Pune, India Aug 1999 – May 2001
B.Sc.(Physics, Chemistry, Mathematics)
Nagpur University, Nagpur, India July 1996 – July 1999
Computing Skills:
Languages : C++, FORTRAN 90, FORTRAN 95 and FORTRAN 77
Data processing : LateX,MS Office, Open Office
Platforms/OS : Unix, Gnu-Linux, Win XP, Win9X
Additional Qualifications:
· Junior Research Fellow (CSIR, India) from July 2001 to July 2003
· Senior Research Fellow (CSIR, India) from July 2003 to July 2006
· Qualified in Joint CSIR-UGC National Eligibility Test (India) for Lectureship (July 2001)
Title of Ph.D. thesis and brief description of the work:
Properties of molecules in ground and low-lying excited states using some stationary coupled-cluster methods
The research work mainly involves development of codes for constrained variation based Fock-space multi-reference coupled cluster methods for molecules in ionized, electron-attached and excited electronic states. These codes make it possible to evaluate analytically, higher order properties with the knowledge of lower order wave function. The first implementation of these codes has been done for evaluation of analytical dipole moments and analytical polarizabilities of small radicals and molecules in excitated states. Implementation of “Extended coupled-cluster” program (ECC) (developed in the group) for evaluation of magnetizabilities of closed-shell molecules has also been done.
List of Publications:
1. “Extended coupled-cluster approatch for magnetizabilities of small molecules” - P.U. Manohar, N. Vaval and S. Pal; Chem. Phys. Lett. 387 (2004) 442-447
2. “Electronic Spectra and Ionization Potentials of Halogen oxides using the Fock-space Coupled-cluster method” - N. Vaval, P. Manohar and S. Pal; Collect. Czech. Chem. Commun. 70 (2005) 851-863
3. “Constrained variational response to Fock-space multi-reference coupled-cluster theory: Some pilot applications” – P.U. Manohar, N. Vaval and S. Pal; J. Mol. Struct.: THEOCHEM (2006) (in press)
4. “Dipole moments and polarizabilities of some small radicals using constrained variational response to Fock-space multi-reference coupled-cluster theory” – P.U. Manohar and S. Pal (to be communicated)
Poster Presentations:
- “Extended coupled-cluster approach for magnetizabilities of small molecules" in the conference “Trends in Theoretical Chemistry 2002” held at Indian Association for the Cultivation of Science, Kolkata 700 032 (January 17 - 19, 2003)
- “Properties of open-shell many-electron system using Lambda-vector Fock-space multi-reference coupled-cluster method” in the “Symposium in Theoretical Chemistry (TCS 2004)” held at BARC, Mumbai (December 9 – 12, 2004)
Oral Presentations:
- “Extended coupled-cluster approach for molecular magnetizabilities" in the students’ symposium held by Royal Society of Chemistry (RSC), West India section at National Chemical Laboratory, Pune 411008 during September 2003
- “On various aspects of Coupled-cluster linear response approaches for highly correlated many-electron systems" in Raman memorial conference at Department of Physics, University of Pune, Pune, 411007 on February 28, 2005
Extra-curricular activities:
· Violinist: Disciple of Pt. Prabhakar Ghare, Nagpur, India and Ustad Faiyaz Hussain Khan, Pune, India
· Qualified in “Sangeet Visharad” examination in Hindustani Music
· Participated (solo performances and accompaniments) in a several musical concerts in Nagpur, Pune and Aurangabad.
Languages known:
Marathi, Hindi and English
Hobbies
Listening to music, Watching Marathi dramas