IIEST, Shibpur

Indian Institute of Engineering Science and Technology, Shibpur

(Formerly Bengal Engineering and Science University, Shibpur)

Empowering the nation since 1856

Dr. Prasanta Kumar Nandi


Department of Chemistry

Academic Qualifications

  • Professor (2008 - continue )
  • Associate Professor (2007-2008)
  • Assistant Professor (2005 -2007 )
  • Senior Lecturer (1999-2004)
  • Lecturer (1995 - 1999)
  • Ph.D. from IIT Kharagpur (1994)
  • M.Sc. (Chem.) from IIT Kharagpur (1989)
  • B.Sc. (Chem. Hons.) from Burdwan University, W.B. (1987)



  1. Office: +91 33 2668 4561/62/63 (Ext. 509)
  2. Mobile: +91 94321 77021


  1. Office: Department of Chemistry, IIEST Shibpur, Howrah-711103
  2. Residence: Flat No. A3, 22/2 Madhusudan Das Lane, Shibpur, Howrah-711103
  3. EMail: nandi_pk@yahoo.co.in, nandi.prasanta8@gmail.com

Area of Research

  • Nonlinear Optical Properties of Molecules (Modeling & Computation).
  • Molecular Electronic Structure and Spectroscopic Properties.

Courses Undertaken

  • Chemistry -Theory and Sessional (BE)
  • Physical Chemistry I, II & III (M.Sc.)
  • Computational Chemistry (M.Sc.)
  • Advanced Quantum Chemistry (M.Sc.)

Recent Publications (Last 10)

  1. K. Hatua, A. Mondal, and P.K. Nandi (2017), “Static Second Hyperpolarizability of Diffuse Electron Compound M2X (M=Li, Na; X=H, F): Ab-initio Study of Basis Set Effect and Electron Correlation”,  Chem. Phys. Lett. 686, 1-6.
  2. S. Ghosh, R. Sinha Roy, P. Banerjee, A. Mondal, K. Hatua and  P. K. Nandi  (2017), “Effect of charge and spin multiplicity on  hyperpolarizabilities of donor- acceptor substituted polyenes”, Indian J. Chem.  56A, 756-766.
  3. R. Sinha Roy, A. Mondal and P. K. Nandi (2017), “First hyperpolarizability of cyclooctatetraene modulated by alkali and alkaline earth metals”, J. Mol. Model,  2393.
  4. A. Mondal, K. Hatua, R. Sinha Roy and P. K. Nandi (2017), “Successive lithiation of acetylene, ethylene and benzene: a comprehensive computational study of large static second hyperpolarizability)” Phys. Chem. Chem. Phys.  19, 4768--4777.
  5.   A. Mondal, K. Hatua, S. Ghosh, B. Dey and P.K. Nandi (2017): Lithium enhanced second hyperpolarizability of inverse sandwich compounds (M-C4X4-M; X = H, Li) of beryllium, magnesium and calcium”, Comp. and Theo. Chem. 1112,  46 – 51.

  6. K. Hatua and  P.K. Nandi (2016), ” Effect of alkaline earth metal at the single wall CNT mouth on the

    electronic structure and second hyperpolarizability” J. Theor. Comput. Chem.15, 16500401-14.

  7. P. Banerjee and P.K. Nandi (2016), “Electronic structures and second hyperpolarizabilities of alkaline earth metal complexes end-capped with NA2 (A = H, Li, Na)” Phys. Chem. Chem. Phys., 18, 12505 - 12520.
  8. R.  Sinha Roy and P.K. Nandi (2015): “Exploring bridging effect on first hyperpolarizability”, RSC Adv.  5, 103729 – 103738.
  9. K. Hatua and P.K. Nandi (2015): “Diradical character and second hyperpolarizability of multidecker inverse sandwich complexes of Mg and Ca”, Chem. Phys. Lett. 628, 1–8.
  10. P. Banerjee and P.K. Nandi (2015): “Electronic structure and second hyperpolarizability of M(NA2)2 (M=Be,Mg,Ca; A=H,Li,Na) complexes”, Chem. Phys. Lett. 637, 164–171.