BITS Pilani

  • Page last updated on Saturday, September 03, 2022

Education and Experience

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Education

Degree

Major

Institute

University

Year

Ph.D.

Chemistry

Guide: Dr. Sourav Pal

National Chemical Laboratory, Pune

University of Pune

2007

M.Sc.

Physical Chemistry

Department of Chemistry

University of Pune

2001

B.Sc.

Physics, Chemistry and Mathematics

Shri. Shivaji Science College, Nagpur

Nagpur University

1999






Professional Experience

Designation
Place
Period
Associate Professor of Chemistry
Department of Chemistry, BITS Pilani, Pilani Campus
June 2021 onwards



Assistant Professor of Chemistry
Department of Chemistry, BITS Pilani, Pilani Campus
August 2009-May 2021



Postdoctoral Research Associate
Department of Chemistry, University of Southern California, Los Angeles, CA
October 2007-June 2009
Project Assistant
Physical and Materials Chemistry Division, National Chemical Laboratory, Pune
January 2007-September 2007
Senior Research Fellow (CSIR)
Physical and Materials Chemistry Division, National Chemical Laboratory, Pune
July 2003-July 2006
Junior Research Fellow (CSIR)
Physical and Materials Chemistry Division, National Chemical Laboratory, Pune
July 2001-July 2003
  • Qualified in the Joint-CSIR/UGC National Eligibility Test (NET) for lectureship and Junior Research Fellowship (JRF) in Chemical Sciences (2001)
  • Member of the American Chemical Society (Membership No. 30018423) since 2008.
  • Life Member of the Chemical Research Society of India (Membership No. LM 1678) since October 2013

Participation in conferences, professional visits, etc.

Seminars/Webinars/Keynote Lectures/Invited Talks:

  1. Atomic and Molecular Structure”, an invited webinar for Chemistry Teachers of Delhi Public Schools organized by Delhi Public Schools Society - HRDC on August 17, 2021.

  2. "Cholesky representation of CVA-FSMRCCSD for analytical dipole moments and dipole polarizabilities of doublet radicals", an oral presentation in (i) the 3rd National Conference on "New Frontiers in Chemistry - From Fundamentals to Applications" (NFCFA 2019) organized by BITS Pilani, K.K. Birla Goa Campus during December 20-22, 2019; (ii) the 3rd North-West Meeting on Spectroscopy, Structure and Dynamics (SSD-2019) during April 5-7, 2019.
  3. Resolution of identity and Cholesky Representation of EOM-MP2 method for ionization potentials, electron affinities and excitation energies of molecules", an invited talk at IACS Kolkata on December 18, 2015 during visit to Prof. Debashis Mukherjee and his research group.

  4. "CCSD and EOM-CCSD job setup on iQmol" - a hands-on demonstration session during Q-Chem Users' workshop at BITS Pilani, Pilani Campus on October 19, 2015.
  5. "Some recent applications of coupled-cluster methods for near-degenerate molecular electronic states" - an oral presentation at the Theoretical Chemistry Symposium, (TCS-2014) organized by CSIR-NCL, Pune/IISER, Pune during December 18-21, 2014.
  6. "Setting up coupled-cluster jobs in Q-Chem" - a talk in the Q-Chem Users' Workshop at IISER Pune on December 17, 2014.
  7. Multi-reference coupled-cluster methods for non-dynamical electron correlation in molecules” (invited talk) in Prof. Anna I. Krylov's research group, Department of Chemistry, University of Southern California, Los Angeles, CA 90089-0482 (USA) (May 25, 2011).

  8. Analytical properties of some molecules using constrained variational response to Fock-space multi-reference coupled-cluster method” at BASF India Limited, Turbhe, Navi Mumbai (November 27, 2006).

  9. 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 (February 28, 2005).

  10. 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 (September 19-20, 2003).

Posters:

  1. "Ground and excited state profiles of keto-enol tautomerism - a computational study" (By Dinesh Kumar, Aishwarya Ramesh and Prashant Uday Manohar) in the 8th Asia Pacific Conference in Theoretical and Computational Chemistry, organized by IIT Bombay during December 2017.

  2. "Resolution of identity and cholesky representation of EOM-MP2 approximation" (by Dinesh Kumar and Prashant Uday Manohar) at the Theoretical Chemistry Symposium, (TCS 2016) organized by University of Hyderabad during December 14-17, 2016.
  3. "Some cost effective intermediate variants of coupled-cluster based methods for open-shell states of molecules" (by Dinesh Kumar and Prashant Uday Manohar) in the Theoretical Chemistry Symposium (TCS-2014) organized by CSIR-NCL, Pune/IISER, Pune during December 18-21, 2014.

  4. "Bonding patterns, geometries and electronic structure of m-benzoquinone and 2- and 5-dehydro m-benzoquinone triradicals" in the Theoretical Chemistry Symposium (TCS-2012) organized by IIT Guwahati during December 19-22, 2012.
  5. Equation-of-motion coupled-cluster singles and doubles method with perturbative triples correction to ionized states and spin-flipping and spin-conserving excited states" in the Theoretical Chemistry Symposium 2010 (TCS 2010) at IIT Kanpur (December 8-12, 2010).

  6. "A non-iterative perturbative triples correction to equation-of-motion coupled-cluster methods with single and double substitutions: Theory and applications” in (i) the Gordon Research Conference on "Molecular Energy Transfer" at Ventura, CA, USA (January 18-23, 2009); (ii) the Q-CHEM workshop at Pittsburgh Supercomputing Center, Pittsburgh, PA, USA (March 19-20, 2009); (iii) the American Chemical Society’s 237th National Meeting at Salt Lake City, Utah, USA (March 22-26, 2009).

  7. Analytical energy derivatives of highly correlated quasi-degenerate systems: A novel technique” in the conference “Recent Trends in Many-body Methods for Electronic Structure and Properties of Atoms and Molecules” at Bhubaneshwar/ Puri, India (January 11-13, 2007).

  8. 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, India (December 9 – 12, 2004).

  9. Extended coupled-cluster approach for magnetizabilities of small molecules" in the Science Day poster presentation at National Chemical Laboratory, Pune 411008, India (February 28, 2004).

  10. Magnetic properties of molecules using extended coupled-cluster theory" in the conference “Trends in Theoretical Chemistry 2002” held at Indian Association for the Cultivation of Science, Kolkata 700032, India (January 17 - 19, 2003).

Institutional/Departmental Responsibilities Undertaken (other than teaching and research)

Institutional Responsibilities:

  1. Member of the Teaching Learning Centre (TLC) of the Pilani Campus since August 2020. Coordinated the Intensive Teaching Workshop (ITW-2021) and co-coordinated the "NEP 2020 Naya Kshitij, Teachers' Training Workshop" during 2021 and 2020, respectively.
  2. Core team member of maintenance of the central HPC facility of Pilani Campus since July 2020.
  3. Non-resident Warden of Viswakarma Bhavan since January 2019.
  4. Served as a member of the Academic Counselling Cell of the Pilani Campus (August 2011-August 2016).
  5. Served as PS-1 faculty during 2015 and 2016.
  6. Coordinated BITSAT during 2014, 2016 and 2017 and proctored BITSAT during 2013 and 2019.
  7. Have been participating in creation and validation of questions for the BITSAT question bank.

Departmental Responsibilities:

  1. Served as Departmental Research Committee (DRC) for three successive terms: May 2016-August 2016, September 2016-August 2018, September 2018-August 2020.
  2. Served as In-charge for maintenance of the website of the Department of Chemistry @ Pilani Campus for over a decade (August 2010-March 2021).
  3. Member of Departmental committee for Institutional budget-Capital expenditure/Laboratory development : In-charge for software purchase and maintenance.
  4. Served as coordinator or the Students-Faculty-Council (SFC) during two terms: First Semester of 2016-17 and First Semester of 2020-21. Also served as member of SFC during the first semester of 2015-16.
  5. Actively participated in course curriculum redesigning during 2010-2011 (In particular the courses: General Chemistry, Physical Chemistry-II, Physical Chemistry-III, Electron correlation in Atoms and Molecules). Also designed the elective laboratory course, "Introductory Computational Chemistry Laboratory" and designed a few experiments for "Chemical Experimentation-II".

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